Geometry & MOs

Info

ID:	79477
PubChem CID:	49759522
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	313.098394
ΔH_f, kcal/mol:	-170.41
Dipole, Da:	3.13
IP(EA), eV:	-9.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)CC(=O)O

DOS

IR

Vibrations