Geometry & MOs

Info

ID:	50515
PubChem CID:	12013059
Reduced:	BrNCl2S2O3H4C7 (1)
Stoich.:	ABC2D2E3F4G7 (1)
Weight, g/mol:	382.82439
ΔH_f, kcal/mol:	-2.04
Dipole, Da:	4.27
IP(EA), eV:	-9.72(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-3-bromo-2,3-dichloro-1-nitroprop-2-enylidene]-1,3-benzodithiole

Drug info:

PubChemData

Smile

C1C(=O)CSC(=C(/C(=C(\Cl)/Br)/Cl)[N+](=O)[O-])S1

DOS

IR

Vibrations