Geometry & MOs

Info

ID:	134649
PubChem CID:	51734138
Reduced:	ClN2O4C30H35 (1)
Stoich.:	AB2C4D30E35 (1)
Weight, g/mol:	478.202321
ΔH_f, kcal/mol:	-141.53
Dipole, Da:	1.9
IP(EA), eV:	-8.77(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@@H](C1=CC(=CC=C1)OC)N(C2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3O

DOS

IR

Vibrations