Geometry & MOs

Info

ID:	175318
PubChem CID:	75882782
Reduced:	FSN3O4C22H26 (1)
Stoich.:	ABC3D4E22F26 (1)
Weight, g/mol:	318.113018
ΔH_f, kcal/mol:	-177.23
Dipole, Da:	3.43
IP(EA), eV:	-9.26(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[4-(2-quinolin-2-ylethenyl)phenoxy]propanoate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)NCCS(=O)(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations