Geometry & MOs

Info

ID:	355213
PubChem CID:	127288145
Reduced:	OSN4C21H26 (1)
Stoich.:	ABC4D21E26 (1)
Weight, g/mol:	359.162725
ΔH_f, kcal/mol:	-23.8
Dipole, Da:	6.14
IP(EA), eV:	-8.87(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC(=O)CSCC4=NC5=CC=CC=C5C(=N4)N

DOS

IR

Vibrations