Geometry & MOs

Info

ID:	289572
PubChem CID:	104359506
Reduced:	BrSCl2O2N3H8C10 (1)
Stoich.:	ABC2D2E3F8G10 (1)
Weight, g/mol:	396.90542
ΔH_f, kcal/mol:	-12.4
Dipole, Da:	8.22
IP(EA), eV:	-10.25(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S(=O)(=O)Cl)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations