Geometry & MOs

Info

ID:	13715
PubChem CID:	397151
Reduced:	OSCl2N2H6C10 (1)
Stoich.:	ABC2D2E6F10 (1)
Weight, g/mol:	271.957789
ΔH_f, kcal/mol:	33.32
Dipole, Da:	3.46
IP(EA), eV:	-9.57(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dichloro-6-imidazol-1-yl-5,6-dihydrocyclopenta[c]thiophen-4-one

Drug info:

PubChemData

Smile

C1C(C2=C(SC(=C2C1=O)Cl)Cl)N3C=CN=C3

DOS

IR

Vibrations