Geometry & MOs

Info

ID:	121403
PubChem CID:	50766843
Reduced:	SN2O5C19H24 (1)
Stoich.:	AB2C5D19E24 (1)
Weight, g/mol:	499.250478
ΔH_f, kcal/mol:	-165.58
Dipole, Da:	6.66
IP(EA), eV:	-8.81(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-tert-butylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations