Geometry & MOs

Info

ID:	59591
PubChem CID:	24875412
Reduced:	SF2N2O2H14C21 (1)
Stoich.:	AB2C2D2E14F21 (1)
Weight, g/mol:	342.153227
ΔH_f, kcal/mol:	-71.26
Dipole, Da:	6.7
IP(EA), eV:	-8.75(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5E)-5-[[2-(3-fluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C2=CN=CO2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4F)F

DOS

IR

Vibrations