Geometry & MOs

Info

ID:	407679
PubChem CID:	135080430
Reduced:	OSC12H14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	242.151809
ΔH_f, kcal/mol:	25.89
Dipole, Da:	4.83
IP(EA), eV:	-8.37(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4aR,8S,8aS)-2,5,5,8a-tetramethyl-7,8-dihydro-6H-chromene-2,4a,8-triol

Drug info:

PubChemData

Smile

CCCC=C=CS(=O)C1=CC=CC=C1

DOS

IR

Vibrations