Geometry & MOs

Info

ID:	283175
PubChem CID:	103962243
Reduced:	ClISN2O4H8C12 (1)
Stoich.:	ABCD2E4F8G12 (1)
Weight, g/mol:	397.94334
ΔH_f, kcal/mol:	-90.93
Dipole, Da:	5.12
IP(EA), eV:	-9.31(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-amino-3-oxopropyl)sulfamoyl]-2-iodobenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)NC2=NC=C(C=C2)Cl)C(=O)O)I

DOS

IR

Vibrations