Geometry & MOs

Info

ID:	123471
PubChem CID:	50849216
Reduced:	NSO4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	257.072179
ΔH_f, kcal/mol:	-160.59
Dipole, Da:	3.78
IP(EA), eV:	-9.38(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methylsulfonyl(propyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCCN(C1=CC=C(C=C1)C(=O)O)S(=O)(=O)CC

DOS

IR

Vibrations