Geometry & MOs

Info

ID:	437686
PubChem CID:	135226851
Reduced:	S2O3C16H26 (1)
Stoich.:	A2B3C16D26 (1)
Weight, g/mol:	314.15518
ΔH_f, kcal/mol:	-157.98
Dipole, Da:	1.86
IP(EA), eV:	-8.71(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-methylprop-2-enoyloxy)-5-methylsulfanyl-2-propylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)SC1CCC(C(C1)C(=O)SC)(C)OC(=O)C(=C)C

DOS

IR

Vibrations