Geometry & MOs

Info

ID:	263154
PubChem CID:	103342167
Reduced:	NSO4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	304.109293
ΔH_f, kcal/mol:	-162.81
Dipole, Da:	3.96
IP(EA), eV:	-8.72(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylpiperazin-1-yl)sulfonylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NS(=O)(=O)C2CCCC2C(=O)OC

DOS

IR

Vibrations