Geometry & MOs

Info

ID:	26153
PubChem CID:	639225
Reduced:	OC3H4 (5)
Stoich.:	AB3C4 (5)
Weight, g/mol:	310.12388
ΔH_f, kcal/mol:	-212.41
Dipole, Da:	4.51
IP(EA), eV:	-9.83(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,5R,6R)-5-ethylsulfanylcarbonyl-4-methyl-6-(2-methylprop-1-enyl)-2-oxocyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=O)[C@@H]([C@H]([C@H]1C(=O)OC)C=C(C)C)C(=O)OC

DOS

IR

Vibrations