Geometry & MOs

Info

ID:

17030

PubChem CID:

482572

Reduced:

N4O7C30H36 (1)

Stoich.:

A4B7C30D36 (1)

Weight, g/mol:

564.2584

ΔHf, kcal/mol:

-261.9

Dipole, Da:

2.03

IP(EA), eV:

 -8.5(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-pyren-1-ylacetamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CNC(=O)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)O)O)N)O)O)N

DOS

IR

Vibrations