Geometry & MOs

Info

ID:	50514
PubChem CID:	12013058
Reduced:	BrNCl2O2S2C8H8 (1)
Stoich.:	ABC2D2E2F8G8 (1)
Weight, g/mol:	362.8193
ΔH_f, kcal/mol:	12.27
Dipole, Da:	6.8
IP(EA), eV:	-9.25(-1.66)
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-dithian-5-one

Drug info:

PubChemData

Smile

C1CCSC(=C(/C(=C(\Cl)/Br)/Cl)[N+](=O)[O-])SC1

DOS

IR

Vibrations