Geometry & MOs

Info

ID:	217096
PubChem CID:	85087250
Reduced:	SO4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	332.198759
ΔH_f, kcal/mol:	-133.97
Dipole, Da:	3.95
IP(EA), eV:	-9.43(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyacetyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,9,9b,10,11-decahydro-1H-indeno[4,5-h]isochromen-7-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(CS(=O)(=O)CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations