Geometry & MOs

Info

ID:

191797

PubChem CID:

78188146

Reduced:

N2O3C22H25 (2)

Stoich.:

A2B3C22D25 (2)

Weight, g/mol:

639.305684

ΔHf, kcal/mol:

-171.65

Dipole, Da:

3.38

IP(EA), eV:

 -9.48(0.02)

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-methoxyquinoline-2-carbonyl)amino]butanediamide

Drug info:

PubChemData

Smile

CC1C(C1C(=O)NC(CC2=CC=CC=C2)C(C(C(CC3=CC=CC=C3)NC(=O)C4C(C4C(=O)NCC5=CC=CC=C5)C)O)O)C(=O)NCC6=CC=CC=C6

DOS

IR

Vibrations