Geometry & MOs

Info

ID:	20026
PubChem CID:	577135
Reduced:	OS2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	244.095558
ΔH_f, kcal/mol:	-61.96
Dipole, Da:	3.19
IP(EA), eV:	-8.83(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,4-dimethylcyclohex-2-en-1-yl)-1,3-dithian-2-ol

Drug info:

PubChemData

Smile

CC1(CCC(C=C1)C2(SCCCS2)O)C

DOS

IR

Vibrations