Geometry & MOs

Info

ID:	184073
PubChem CID:	77105508
Reduced:	ON4H14C21 (1)
Stoich.:	AB4C14D21 (1)
Weight, g/mol:	523.059125
ΔH_f, kcal/mol:	144.85
Dipole, Da:	2.03
IP(EA), eV:	-8.82(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)pyridin-2-yl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(OC(=N2)C3=CC(=CC=C3)N=[N+]=[N-])C4=CC=CC=C4

DOS

IR

Vibrations