Geometry & MOs

Info

ID:	56246
PubChem CID:	17422823
Reduced:	O2F3N3C16H16 (1)
Stoich.:	A2B3C3D16E16 (1)
Weight, g/mol:	348.104482
ΔH_f, kcal/mol:	-189.69
Dipole, Da:	5.82
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-2-oxo-6-(quinolin-8-ylmethylsulfanyl)-1,3-dihydropyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=N1)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations