Geometry & MOs

Info

ID:	10887
PubChem CID:	108688
Reduced:	BrS2O3N4H9C10 (1)
Stoich.:	AB2C3D4E9F10 (1)
Weight, g/mol:	375.92995
ΔH_f, kcal/mol:	-24.35
Dipole, Da:	2.69
IP(EA), eV:	-9.53(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)benzamide

Drug info:

PubChemData

Smile

CN1C(=NC(=O)C2=CC=C(C=C2)Br)SC(=N1)S(=O)(=O)N

DOS

IR

Vibrations