Geometry & MOs

Info

ID:	318395
PubChem CID:	126651097
Reduced:	SNa2O8C18H32 (1)
Stoich.:	AB2C8D18E32 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	-223.34
Dipole, Da:	94.83
IP(EA), eV:	-4.92(-3.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-methyl-2-methylidene-5-phenylpent-4-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)C(C(C(=O)[O-])OCC)S(=O)(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations