Geometry & MOs

Info

ID:	265401
PubChem CID:	103520033
Reduced:	ClNSO4C12H14 (1)
Stoich.:	ABCD4E12F14 (1)
Weight, g/mol:	313.098394
ΔH_f, kcal/mol:	-140.54
Dipole, Da:	4.64
IP(EA), eV:	-9.86(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-5-(3-methylbut-2-enylsulfamoyl)benzoic acid

Drug info:

PubChemData

Smile

CC(=CCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl)C

DOS

IR

Vibrations