Geometry & MOs

Info

ID:	50518
PubChem CID:	12013062
Reduced:	NSO2Cl4C14H21 (1)
Stoich.:	ABC2D4E14F21 (1)
Weight, g/mol:	445.037363
ΔH_f, kcal/mol:	-46.86
Dipole, Da:	4.89
IP(EA), eV:	-9.48(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z,7E)-5,6-dichloro-7-nitro-8-octylsulfanyl-1-oxa-4,9-dithiacycloundeca-5,7-diene

Drug info:

PubChemData

Smile

CCCCCCCCCCS/C(=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-])/Cl

DOS

IR

Vibrations