Geometry & MOs

Info

ID:	401492
PubChem CID:	135051438
Reduced:	OS4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	341.919021
ΔH_f, kcal/mol:	-40.71
Dipole, Da:	1.46
IP(EA), eV:	-8.15(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSC(=C1CCCC(=C(SCC)SCC)C1=O)SCC

DOS

IR

Vibrations