Geometry & MOs

Info

ID:	437687
PubChem CID:	135226852
Reduced:	SO4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	300.13953
ΔH_f, kcal/mol:	-198.1
Dipole, Da:	2.76
IP(EA), eV:	-8.64(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethylsulfanyl-2-methyl-2-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCC1(CCC(CC1C(=O)OC)SC)OC(=O)C(=C)C

DOS

IR

Vibrations