Geometry & MOs

Info

ID:	226856
PubChem CID:	87558644
Reduced:	SZrH18C23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	249.944448
ΔH_f, kcal/mol:	238.28
Dipole, Da:	3.98
IP(EA), eV:	-6.24(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dichlorobenzene;1,3-dithiole

Drug info:

PubChemData

Smile

CC1C=C(C=[C-]1)C2=CC=CS2.C1C2=CC=CC=C2C3=CC=C[C-]=C31.[Zr+2]

DOS

IR

Vibrations