Geometry & MOs

Info

ID:	50519
PubChem CID:	12013063
Reduced:	NCl2O3S3C16H25 (1)
Stoich.:	AB2C3D3E16F25 (1)
Weight, g/mol:	473.068663
ΔH_f, kcal/mol:	-53.37
Dipole, Da:	5.96
IP(EA), eV:	-9.04(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCS/C/1=C(/C(=C(\SCCOCCS1)/Cl)/Cl)\[N+](=O)[O-]

DOS

IR

Vibrations