Geometry & MOs

Info

ID:	338326
PubChem CID:	127259018
Reduced:	SO3C16H22 (1)
Stoich.:	AB3C16D22 (1)
Weight, g/mol:	306.128966
ΔH_f, kcal/mol:	-111.3
Dipole, Da:	1.58
IP(EA), eV:	-8.7(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methylsulfanyl-2-(6-phenylcyclohexen-1-yl)oxyethyl] acetate

Drug info:

PubChemData

Smile

CCC/C=C(\C1=CC=CC=C1)/OCC(OC(=O)C)SC

DOS

IR

Vibrations