Geometry & MOs

Info

ID:	401496
PubChem CID:	135051444
Reduced:	OS2H12C17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	334.025285
ΔH_f, kcal/mol:	33.15
Dipole, Da:	3.27
IP(EA), eV:	-8.42(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-5-(2-methoxyphenyl)-3-(4-methylphenyl)-1lambda4,2-dithiacyclopenta-3,5-diene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(OS3=C2C=CS3)C4=CC=CC=C4

DOS

IR

Vibrations