Geometry & MOs

Info

ID:	64141
PubChem CID:	29196527
Reduced:	ClN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	498.230077
ΔH_f, kcal/mol:	-103.68
Dipole, Da:	1.95
IP(EA), eV:	-9.21(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(3,4-dimethylphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)Cl)NC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations