Geometry & MOs

Info

ID:

223045

PubChem CID:

85334226

Reduced:

N10O19C43H70 (1)

Stoich.:

A10B19C43D70 (1)

Weight, g/mol:

1032.619247

ΔHf, kcal/mol:

-931.41

Dipole, Da:

8.57

IP(EA), eV:

 -9.6(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[1-[5-amino-2-[[6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations