Geometry & MOs

Info

ID:	204345
PubChem CID:	79951463
Reduced:	SO2C12H22 (1)
Stoich.:	AB2C12D22 (1)
Weight, g/mol:	272.144616
ΔH_f, kcal/mol:	-127.9
Dipole, Da:	3.28
IP(EA), eV:	-8.72(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylthian-3-ol

Drug info:

PubChemData

Smile

CC1C(CCCS1)(CCC2CCCO2)O

DOS

IR

Vibrations