Geometry & MOs

Info

ID:	134939
PubChem CID:	51786599
Reduced:	ClN2O2C33H41 (1)
Stoich.:	AB2C2D33E41 (1)
Weight, g/mol:	482.152783
ΔH_f, kcal/mol:	-77.52
Dipole, Da:	7.08
IP(EA), eV:	-9.18(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3R)-1-(butylamino)-1-oxo-3-phenylbutan-2-yl]-4-chloro-N-(2-chlorophenyl)benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)N(C2=CC=CC=C2Cl)[C@@H](C3=CC=C(C=C3)C)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations