Geometry & MOs

Info

ID:	31431
PubChem CID:	855711
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	332.098334
ΔH_f, kcal/mol:	4.41
Dipole, Da:	5.34
IP(EA), eV:	-9.09(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-phenacylsulfanylquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(C=C2C=C1)C#N)SCC(=O)NC3CCCCC3

DOS

IR

Vibrations