Geometry & MOs

Info

ID:	347979
PubChem CID:	127273041
Reduced:	SO2N4C16H28 (1)
Stoich.:	AB2C4D16E28 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-106.25
Dipole, Da:	2.94
IP(EA), eV:	-8.11(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)propyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CSC2(N1C(=O)CC2)C)N3CCN(CC3)C

DOS

IR

Vibrations