Geometry & MOs

Info

ID:	31427
PubChem CID:	855705
Reduced:	SO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	332.098334
ΔH_f, kcal/mol:	-17.67
Dipole, Da:	3.79
IP(EA), eV:	-8.85(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,8-dimethyl-2-phenacylsulfanylquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3CCCC3)C#N

DOS

IR

Vibrations