Geometry & MOs

Info

ID:

215606

PubChem CID:

85084978

Reduced:

N11O14C53H71 (1)

Stoich.:

A11B14C53D71 (1)

Weight, g/mol:

1086.496373

ΔHf, kcal/mol:

-586.21

Dipole, Da:

8.73

IP(EA), eV:

 -8.79(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CCCN)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations