Geometry & MOs

Info

ID:	222494
PubChem CID:	85300917
Reduced:	SO4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	344.198759
ΔH_f, kcal/mol:	-113.13
Dipole, Da:	8.12
IP(EA), eV:	-8.93(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 9,12-dimethyl-9-(3-oxopropyl)-10-prop-1-en-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCC(C(=C2)S(=O)(=O)C3=CC=CC=C3)O

DOS

IR

Vibrations