Geometry & MOs

Info

ID:	401497
PubChem CID:	135051447
Reduced:	ClOS2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	398.004944
ΔH_f, kcal/mol:	10.19
Dipole, Da:	5.75
IP(EA), eV:	-8.79(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-methoxyphenyl)-3-(4-methylphenyl)-1lambda4,2-dithiacyclopenta-3,5-dien-1-yl] perchlorate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=S(S2)Cl)C3=CC=CC=C3OC

DOS

IR

Vibrations