Geometry & MOs

Info

ID:	185670
PubChem CID:	77328895
Reduced:	Cl2S2O5C32H40 (1)
Stoich.:	A2B2C5D32E40 (1)
Weight, g/mol:	332.121293
ΔH_f, kcal/mol:	-196.81
Dipole, Da:	2.08
IP(EA), eV:	-8.04(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-10-oxo-4-propoxy-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydrothioxanthen-9-one

Drug info:

PubChemData

Smile

CCCOC1CCC(C2C1S(=O)C3CCCCC3C2=O)Cl.CCCOC1=C2C(=C(C=C1)Cl)CC3=CC=CC=C3S2=O

DOS

IR

Vibrations