Geometry & MOs

Info

ID:

191800

PubChem CID:

78188489

Reduced:

N5O5C38H45 (1)

Stoich.:

A5B5C38D45 (1)

Weight, g/mol:

649.32642

ΔHf, kcal/mol:

-180.49

Dipole, Da:

9.24

IP(EA), eV:

 -9.3(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-hydroxy-4-[2-[(1-methylcyclohexyl)carbamoyl]phenyl]-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations