Geometry & MOs

Info

ID:

224178

PubChem CID:

85339205

Reduced:

O11N12C44H78 (1)

Stoich.:

A11B12C44D78 (1)

Weight, g/mol:

952.465432

ΔHf, kcal/mol:

-539.45

Dipole, Da:

6.2

IP(EA), eV:

 -8.95(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[5-amino-2-[[6-amino-2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(CCCCN)N

DOS

IR

Vibrations