Geometry & MOs

Info

ID:	222253
PubChem CID:	85295679
Reduced:	SO4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	270.16198
ΔH_f, kcal/mol:	-170.57
Dipole, Da:	9.54
IP(EA), eV:	-10.51(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-phenylcyclohexyl) hexa-2,4-dienoate

Drug info:

PubChemData

Smile

CCC(CCC(=O)O)CS(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations