Geometry & MOs

Info

ID:	393996
PubChem CID:	135022142
Reduced:	FSO2H17C21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	288.172545
ΔH_f, kcal/mol:	-49.81
Dipole, Da:	1.27
IP(EA), eV:	-9.1(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C(=C/C2=CC=C(C=C2)C(=O)OC)/C3=CSC=C3)F

DOS

IR

Vibrations