Geometry & MOs

Info

ID:	289459
PubChem CID:	104355460
Reduced:	SN2O4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	314.130028
ΔH_f, kcal/mol:	-149.04
Dipole, Da:	5.69
IP(EA), eV:	-9.17(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(heptan-2-ylsulfamoyl)benzoic acid

Drug info:

PubChemData

Smile

CCCN(C)S(=O)(=O)C1=C(C=C(C=C1)N)C(=O)OC

DOS

IR

Vibrations