Geometry & MOs

Info

ID:	344849
PubChem CID:	127268609
Reduced:	NSO2C7H14 (2)
Stoich.:	ABC2D7E14 (2)
Weight, g/mol:	359.187878
ΔH_f, kcal/mol:	-194.07
Dipole, Da:	8.78
IP(EA), eV:	-8.95(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylpiperazin-1-yl)-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(C)CNS(=O)(=O)C2CCS(=O)(=O)CC2

DOS

IR

Vibrations