Geometry & MOs

Info

ID:	283170
PubChem CID:	103962153
Reduced:	BrSN2O3C10H13 (1)
Stoich.:	ABC2D3E10F13 (1)
Weight, g/mol:	397.97972
ΔH_f, kcal/mol:	-24.87
Dipole, Da:	12.53
IP(EA), eV:	-9.71(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(dimethylamino)ethylsulfamoyl]-2-iodobenzoic acid

Drug info:

PubChemData

Smile

CCC(CN1C=C(C(=O)C(=C1)Br)[N+](=O)[O-])CS

DOS

IR

Vibrations