Geometry & MOs

Info

ID:	50513
PubChem CID:	12013057
Reduced:	NO2S2Cl3C8H8 (1)
Stoich.:	AB2C2D3E8F8 (1)
Weight, g/mol:	362.85569
ΔH_f, kcal/mol:	4.43
Dipole, Da:	6.75
IP(EA), eV:	-9.31(-1.43)
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-dithiepane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations