Geometry & MOs

Info

ID:	45556
PubChem CID:	10514839
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	250.102751
ΔH_f, kcal/mol:	-150.25
Dipole, Da:	3.01
IP(EA), eV:	-9.97(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclohexylsulfanylphenyl) acetate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@H](C=C[C@@H]2[C@@H]1C(=O)C[C@H](C2)C)C

DOS

IR

Vibrations