Geometry & MOs

Info

ID:	31429
PubChem CID:	855709
Reduced:	FOSN2H13C19 (1)
Stoich.:	ABCD2E13F19 (1)
Weight, g/mol:	318.082684
ΔH_f, kcal/mol:	15.23
Dipole, Da:	7.21
IP(EA), eV:	-9.06(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-phenacylsulfanylquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(C=C2C=C1)C#N)SCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations