Geometry & MOs

Info

ID:

193614

PubChem CID:

78412307

Reduced:

N4O6C31H40 (1)

Stoich.:

A4B6C31D40 (1)

Weight, g/mol:

580.26857

ΔHf, kcal/mol:

-234.7

Dipole, Da:

4.72

IP(EA), eV:

 -9.6(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[[1-[[2-(furan-3-yl)-1-(2-methylcyclohexyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)N)C=CC(=O)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations