Geometry & MOs

Info

ID:	79481
PubChem CID:	49759538
Reduced:	NSO4C9H17 (1)
Stoich.:	ABC4D9E17 (1)
Weight, g/mol:	263.119129
ΔH_f, kcal/mol:	-197.64
Dipole, Da:	5.78
IP(EA), eV:	-10.02(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-butylsulfonylpiperidin-3-yl)acetic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCCC(C1)CC(=O)O

DOS

IR

Vibrations