Geometry & MOs

Info

ID:	138854
PubChem CID:	52434917
Reduced:	ClN3O3C27H28 (1)
Stoich.:	AB3C3D27E28 (1)
Weight, g/mol:	477.181919
ΔH_f, kcal/mol:	-65.0
Dipole, Da:	7.32
IP(EA), eV:	-8.29(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)[C@@H](C4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations