Geometry & MOs

Info

ID:	393995
PubChem CID:	135022141
Reduced:	O3H20C23 (1)
Stoich.:	A3B20C23 (1)
Weight, g/mol:	352.093329
ΔH_f, kcal/mol:	-40.6
Dipole, Da:	4.01
IP(EA), eV:	-8.81(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(Z)-2-(4-fluoro-3-methylphenyl)-2-thiophen-3-ylethenyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C(=C\C2=CC=C(C=C2)C(=O)OC)/C3=CC=CC=C3

DOS

IR

Vibrations