Geometry & MOs

Info

ID:	31428
PubChem CID:	855708
Reduced:	OSN2H16C20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	336.073262
ΔH_f, kcal/mol:	56.95
Dipole, Da:	5.5
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-7-methylquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)C3=CC=CC=C3)C#N

DOS

IR

Vibrations