Geometry & MOs

Info

ID:	356839
PubChem CID:	127292379
Reduced:	SO3N5C15H31 (1)
Stoich.:	AB3C5D15E31 (1)
Weight, g/mol:	387.230411
ΔH_f, kcal/mol:	-146.8
Dipole, Da:	5.88
IP(EA), eV:	-8.48(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C)NC(=O)NC2CCCN(C2)S(=O)(=O)C

DOS

IR

Vibrations