Geometry & MOs

Info

ID:	283181
PubChem CID:	103962332
Reduced:	INSO5C12H14 (1)
Stoich.:	ABCD5E12F14 (1)
Weight, g/mol:	423.00013
ΔH_f, kcal/mol:	-167.24
Dipole, Da:	3.48
IP(EA), eV:	-10.01(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCC1NS(=O)(=O)C2=CC(=C(C=C2)I)C(=O)O

DOS

IR

Vibrations