Geometry & MOs

Info

ID:	344770
PubChem CID:	127268358
Reduced:	NSO3C13H25 (1)
Stoich.:	ABC3D13E25 (1)
Weight, g/mol:	378.074171
ΔH_f, kcal/mol:	-158.15
Dipole, Da:	4.0
IP(EA), eV:	-9.44(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(C)S(=O)(=O)CC2CCCO2

DOS

IR

Vibrations