Geometry & MOs

Info

ID:	283179
PubChem CID:	103962318
Reduced:	ISN2O5C12H15 (1)
Stoich.:	ABC2D5E12F15 (1)
Weight, g/mol:	423.00013
ΔH_f, kcal/mol:	-172.15
Dipole, Da:	4.31
IP(EA), eV:	-10.01(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)C(C)NS(=O)(=O)C1=CC(=C(C=C1)I)C(=O)O

DOS

IR

Vibrations