Geometry & MOs

Info

ID:

163877

PubChem CID:

74380601

Reduced:

O6N7C43H45 (1)

Stoich.:

A6B7C43D45 (1)

Weight, g/mol:

856.474815

ΔHf, kcal/mol:

-169.83

Dipole, Da:

5.05

IP(EA), eV:

 -8.4(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-naphthalen-1-ylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)CCC6=CC=C(C=C6)O

DOS

IR

Vibrations