Geometry & MOs

Info

ID:

225284

PubChem CID:

85753135

Reduced:

O9N10C35H60 (1)

Stoich.:

A9B10C35D60 (1)

Weight, g/mol:

846.380657

ΔHf, kcal/mol:

-428.82

Dipole, Da:

10.32

IP(EA), eV:

 -9.35(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(diaminomethylideneamino)-2-[[2-[[2-[[1-[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCN=C(N)N)C(=O)O)N

DOS

IR

Vibrations