Geometry & MOs

Info

ID:	437660
PubChem CID:	135226767
Reduced:	OSC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	330.150095
ΔH_f, kcal/mol:	-120.91
Dipole, Da:	3.71
IP(EA), eV:	-8.3(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methoxyethoxy)-1-methyl-2-methylsulfanylcarbonylcyclohexyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1(CCC(CC1SC)SC2CCCCC2)C

DOS

IR

Vibrations