Geometry & MOs

Info

ID:	283178
PubChem CID:	103962313
Reduced:	INSO4C13H18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	425.97464
ΔH_f, kcal/mol:	-138.76
Dipole, Da:	1.79
IP(EA), eV:	-9.71(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]-2-iodobenzoic acid

Drug info:

PubChemData

Smile

CC(C)C(C)N(C)S(=O)(=O)C1=CC(=C(C=C1)I)C(=O)O

DOS

IR

Vibrations