Geometry & MOs

Info

ID:	138851
PubChem CID:	52434717
Reduced:	Cl2N2O3H18C23 (1)
Stoich.:	A2B2C3D18E23 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	-41.19
Dipole, Da:	5.71
IP(EA), eV:	-8.91(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=O)[C@@H](C4=CC=CC=C4Cl)OC)Cl

DOS

IR

Vibrations