Geometry & MOs

Info

ID:	138852
PubChem CID:	52434902
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	-52.42
Dipole, Da:	1.96
IP(EA), eV:	-8.04(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)[C@@H](C4=CC=CC=C4)OC

DOS

IR

Vibrations