Geometry & MOs

Info

ID:	437684
PubChem CID:	135226849
Reduced:	SO3C16H28 (1)
Stoich.:	AB3C16D28 (1)
Weight, g/mol:	314.172939
ΔH_f, kcal/mol:	-152.78
Dipole, Da:	1.42
IP(EA), eV:	-8.14(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methoxy-2-(2-methoxyethyl)-2-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations