Geometry & MOs

Info

ID:	134132
PubChem CID:	51650271
Reduced:	SN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	332.046693
ΔH_f, kcal/mol:	-67.43
Dipole, Da:	5.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765533
Charge, e:	-2

Chem-info

IUPAC name:

3-[[2-methyl-6-(C-oxidocarbonimidoyl)phenyl]sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=N)[O-])NS(=O)(=O)C2=CC=CC(=C2)C(=O)C

DOS

IR

Vibrations