Geometry & MOs

Info

ID:	121408
PubChem CID:	50767049
Reduced:	SN2O4C22H30 (1)
Stoich.:	AB2C4D22E30 (1)
Weight, g/mol:	461.178456
ΔH_f, kcal/mol:	-151.99
Dipole, Da:	10.1
IP(EA), eV:	-8.9(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-fluorophenyl)sulfonylamino]-4-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

CCCCN(CC)C1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations