Geometry & MOs

Info

ID:	13693
PubChem CID:	396938
Reduced:	OSCl2N2C12H14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	304.02039
ΔH_f, kcal/mol:	-1.56
Dipole, Da:	2.93
IP(EA), eV:	-8.55(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dichloro-6-(4-methylpiperazin-1-yl)-5,6-dihydrocyclopenta[c]thiophen-4-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2CC(=O)C3=C(SC(=C23)Cl)Cl

DOS

IR

Vibrations