Geometry & MOs

Info

ID:	51950
PubChem CID:	12014721
Reduced:	SO2C21H24 (1)
Stoich.:	AB2C21D24 (1)
Weight, g/mol:	238.102751
ΔH_f, kcal/mol:	-53.2
Dipole, Da:	3.32
IP(EA), eV:	-8.66(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-(2-sulfanylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-1,5-diol

Drug info:

PubChemData

Smile

CC1([C@H]2CCC3=C([C@H]2OCS1)C=CC=C3OCC4=CC=CC=C4)C

DOS

IR

Vibrations