Geometry & MOs

Info

ID:	437689
PubChem CID:	135226854
Reduced:	SO4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	354.186481
ΔH_f, kcal/mol:	-196.43
Dipole, Da:	4.56
IP(EA), eV:	-8.69(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclohexyl-2-(2-methylprop-2-enoyloxy)-5-methylsulfanylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1(CCC(CC1C(=O)OC)SC)OC(=O)C(=C)C

DOS

IR

Vibrations