Geometry & MOs

Info

ID:	437667
PubChem CID:	135226774
Reduced:	SO2C11H18 (1)
Stoich.:	AB2C11D18 (1)
Weight, g/mol:	272.144616
ΔH_f, kcal/mol:	-99.42
Dipole, Da:	2.93
IP(EA), eV:	-8.63(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethoxy-1-methyl-5-methylsulfanylcyclohexyl) 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1(CCCC1SC)C

DOS

IR

Vibrations