Geometry & MOs

Info

ID:	437688
PubChem CID:	135226853
Reduced:	SO4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	314.15518
ΔH_f, kcal/mol:	-196.43
Dipole, Da:	3.41
IP(EA), eV:	-8.71(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-methylprop-2-enoyloxy)-5-methylsulfanyl-2-propan-2-ylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCSC1CCC(C(C1)C(=O)OC)(C)OC(=O)C(=C)C

DOS

IR

Vibrations