Geometry & MOs

Info

ID:

187450

PubChem CID:

77572952

Reduced:

N3O4C37H39 (1)

Stoich.:

A3B4C37D39 (1)

Weight, g/mol:

644.325023

ΔHf, kcal/mol:

-86.87

Dipole, Da:

7.99

IP(EA), eV:

 -8.52(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[7-(4-tert-butylphenoxy)-2-(cyclopentanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carbonyl]amino]-3-(4-phenylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OC2=CC3=C(N=C(C=C3C=C2)C(=O)NC(CN4C=CC5=CC=CC=C54)C(=O)O)CC6CCCC6

DOS

IR

Vibrations