Geometry & MOs

Info

ID:	343962
PubChem CID:	127267138
Reduced:	SN3O4C15H19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	328.109293
ΔH_f, kcal/mol:	-132.85
Dipole, Da:	6.67
IP(EA), eV:	-8.94(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,3-dimethylbutanoylamino)sulfamoylmethyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C=C1NS(=O)(=O)C2=CN=C(C=C2)OC(C)C)C

DOS

IR

Vibrations