Geometry & MOs

Info

ID:	21832
PubChem CID:	591752
Reduced:	NSO4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	271.087829
ΔH_f, kcal/mol:	-161.9
Dipole, Da:	5.13
IP(EA), eV:	-9.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[butyl(methylsulfonyl)amino]benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations