Geometry & MOs

Info

ID:	289567
PubChem CID:	104359500
Reduced:	BrClN3H9C14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	354.85847
ΔH_f, kcal/mol:	96.05
Dipole, Da:	5.79
IP(EA), eV:	-9.37(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-chlorophenyl)-1H-1,2,4-triazole-5-sulfonyl chloride

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)Cl)/C(=C(\C#N)/C2=CC=NC=C2)/N

DOS

IR

Vibrations