Geometry & MOs

Info

ID:	151408
PubChem CID:	53801215
Reduced:	SN3O7C17H19 (1)
Stoich.:	AB3C7D17E19 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-160.57
Dipole, Da:	5.04
IP(EA), eV:	-9.99(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-methylhexa-2,4-dienoic acid

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)C(=O)C2=C(C(=C(C(=C2)C)S(=O)(=O)C)C)[N+](=O)[O-])OC(=O)C

DOS

IR

Vibrations