Geometry & MOs

Info

ID:	217681
PubChem CID:	85088206
Reduced:	SO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	388.334131
ΔH_f, kcal/mol:	-115.39
Dipole, Da:	5.21
IP(EA), eV:	-8.8(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]isochromen-4-ol

Drug info:

PubChemData

Smile

CCOC(=O)C(=C(C(=O)OCC)SC1=CC=CC=C1)SC2=CC=CC=C2

DOS

IR

Vibrations