Geometry & MOs

Info

ID:	50516
PubChem CID:	12013060
Reduced:	BrNCl2O2S2H4C10 (1)
Stoich.:	ABC2D2E2F4G10 (1)
Weight, g/mol:	380.970461
ΔH_f, kcal/mol:	46.92
Dipole, Da:	5.72
IP(EA), eV:	-9.13(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1E)-1,3,4,4-tetrachloro-2-nitrobuta-1,3-dienyl]sulfanyloctane

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)SC(=C(/C(=C(\Cl)/Br)/Cl)[N+](=O)[O-])S2

DOS

IR

Vibrations