Geometry & MOs

Info

ID:	381550
PubChem CID:	134972319
Reduced:	O3C7H8 (1)
Stoich.:	A3B7C8 (1)
Weight, g/mol:	328.113316
ΔH_f, kcal/mol:	-99.92
Dipole, Da:	5.01
IP(EA), eV:	-9.74(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8S)-1-methoxy-8-methyl-5-phenylsulfanyl-2-oxatricyclo[6.3.1.04,12]dodeca-5,9-dien-11-one

Drug info:

PubChemData

Smile

C1CO[C@H]2C(=O)C=C[C@@H]1O2

DOS

IR

Vibrations