Geometry & MOs

Info

ID:	347960
PubChem CID:	127273022
Reduced:	SO3N5C16H27 (1)
Stoich.:	AB3C5D16E27 (1)
Weight, g/mol:	324.252526
ΔH_f, kcal/mol:	-91.32
Dipole, Da:	5.0
IP(EA), eV:	-8.41(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[2-(4-methylpiperazin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CN(C)S(=O)(=O)C1=CN=CC=C1)N2CCN(CC2)C

DOS

IR

Vibrations