Geometry & MOs

Info

ID:	289465
PubChem CID:	104356318
Reduced:	BrClN2S2O4H8C11 (1)
Stoich.:	ABC2D2E4F8G11 (1)
Weight, g/mol:	337.87637
ΔH_f, kcal/mol:	-90.6
Dipole, Da:	6.36
IP(EA), eV:	-9.83(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-chloro-5-(cyanosulfamoyl)benzoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(=O)O)Cl)Br)S(=O)(=O)NCC2=CSC=N2

DOS

IR

Vibrations