Geometry & MOs

Info

ID:	224751
PubChem CID:	85349212
Reduced:	OSF3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	248.087101
ΔH_f, kcal/mol:	-177.41
Dipole, Da:	5.74
IP(EA), eV:	-9.18(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenylsulfanylcyclohex-2-en-1-yl) acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC(C=O)C(F)(F)F

DOS

IR

Vibrations