Geometry & MOs

Info

ID:	309633
PubChem CID:	126551303
Reduced:	SO2N3H29C55 (1)
Stoich.:	AB2C3D29E55 (1)
Weight, g/mol:	272.084872
ΔH_f, kcal/mol:	310.0
Dipole, Da:	3.87
IP(EA), eV:	-8.49(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(O3)C(=CC5=CC=CC=C54)C6=NC(=NC(=N6)C7=CC8=C(C=C7)SC9=CC=CC=C98)C1=CC2=CC=CC=C2C2=C1OC1=C2C2=CC=CC=C2C=C1

DOS

IR

Vibrations