Geometry & MOs

Info

ID:	276697
PubChem CID:	103824733
Reduced:	BrClFN2O3H7C13 (1)
Stoich.:	ABCD2E3F7G13 (1)
Weight, g/mol:	316.90252
ΔH_f, kcal/mol:	-40.77
Dipole, Da:	3.86
IP(EA), eV:	-9.51(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)Br)Cl)F)[N+](=O)[O-]

DOS

IR

Vibrations