Geometry & MOs

Info

ID:	283185
PubChem CID:	103962546
Reduced:	IN2S2O4H11C12 (1)
Stoich.:	AB2C2D4E11F12 (1)
Weight, g/mol:	420.98448
ΔH_f, kcal/mol:	-82.77
Dipole, Da:	4.85
IP(EA), eV:	-9.79(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-iodobenzoic acid

Drug info:

PubChemData

Smile

CC(C1=NC=CS1)NS(=O)(=O)C2=CC(=C(C=C2)I)C(=O)O

DOS

IR

Vibrations