Geometry & MOs

Info

ID:	388170
PubChem CID:	134988435
Reduced:	OPCl2C8H15 (1)
Stoich.:	ABC2D8E15 (1)
Weight, g/mol:	172.038043
ΔH_f, kcal/mol:	-102.93
Dipole, Da:	3.66
IP(EA), eV:	-8.75(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methyl-3,4-dihydro-2H-thiopyran-2-yl)ethanethione

Drug info:

PubChemData

Smile

CCO/C(=C(/C)\P(C(C)C)Cl)/Cl

DOS

IR

Vibrations