Geometry & MOs

Info

ID:	391105
PubChem CID:	135002858
Reduced:	SC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	489.109655
ΔH_f, kcal/mol:	25.81
Dipole, Da:	1.25
IP(EA), eV:	-8.7(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1Z)-1,3,4-trichloro-2-nitro-4-octylsulfanylbuta-1,3-dienyl]sulfanyloctane

Drug info:

PubChemData

Smile

CCCCCCCCC=C=CC1=CSC=C1

DOS

IR

Vibrations