Geometry & MOs

Info

ID:	23796
PubChem CID:	606107
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	-4.46
Dipole, Da:	1.9
IP(EA), eV:	-9.63(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-2-oxo-6-pentylsulfanyl-1,3-dihydropyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CCCCCSC1=C(C(C(C(=O)N1)C#N)(C)C)C#N

DOS

IR

Vibrations