Geometry & MOs

Info

ID:

47652

PubChem CID:

10534581

Reduced:

N16O25C76H124 (1)

Stoich.:

A16B25C76D124 (1)

Weight, g/mol:

1708.713624

ΔHf, kcal/mol:

-1134.99

Dipole, Da:

7.24

IP(EA), eV:

 -9.13(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S,5R,6R)-5-amino-N-[(2R,3R,4S,6S)-6-[[(2R,3R,4S,6S)-6-[[(2R,3R,4S,6S)-6-[[(2R,3R,4S,6S)-6-[[(2R,3R,4S,6S)-6-[(6-amino-6-oxohexyl)carbamoyl]-4-hydroxy-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]carbamoyl]-4-hydroxy-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]carbamoyl]-4-hydroxy-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]carbamoyl]-4-hydroxy-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]carbamoyl]-4-hydroxy-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]-4-hydroxy-2-methoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide

Drug info:

PubChemData

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CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)N

DOS

IR

Vibrations