Geometry & MOs

Info

ID:

191798

PubChem CID:

78188487

Reduced:

N5O6C36H41 (1)

Stoich.:

A5B6C36D41 (1)

Weight, g/mol:

665.35772

ΔHf, kcal/mol:

-202.46

Dipole, Da:

8.73

IP(EA), eV:

 -9.52(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl]-2-[[4-(2-methylpropyl)quinoline-2-carbonyl]amino]butanediamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C(=C3)OC)O

DOS

IR

Vibrations