Geometry & MOs

Info

ID:

16534

PubChem CID:

472199

Reduced:

N14O15C42H76 (1)

Stoich.:

A14B15C42D76 (1)

Weight, g/mol:

1016.561458

ΔHf, kcal/mol:

-760.81

Dipole, Da:

7.41

IP(EA), eV:

 -9.36(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(3S,4S)-4-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)O)N

DOS

IR

Vibrations