Geometry & MOs

Info

ID:	31432
PubChem CID:	855712
Reduced:	OSN2H16C20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	346.113984
ΔH_f, kcal/mol:	60.77
Dipole, Da:	6.05
IP(EA), eV:	-8.76(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC2=CC(=C(N=C2C=C1)SCC(=O)C3=CC=CC=C3)C#N

DOS

IR

Vibrations