Geometry & MOs

Info

ID:	186202
PubChem CID:	77403114
Reduced:	O4C19H22 (1)
Stoich.:	A4B19C22 (1)
Weight, g/mol:	342.128966
ΔH_f, kcal/mol:	-98.19
Dipole, Da:	6.14
IP(EA), eV:	-8.33(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-1-methyl-9-methylsulfanyl-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]deca-4,8-dien-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=C(C3C4CCC(C3C2=O)O4)OC)C)OC

DOS

IR

Vibrations