Geometry & MOs

Info

ID:	177395
PubChem CID:	76180270
Reduced:	ClS2N3O4H18C22 (1)
Stoich.:	AB2C3D4E18F22 (1)
Weight, g/mol:	282.100442
ΔH_f, kcal/mol:	-79.33
Dipole, Da:	5.08
IP(EA), eV:	-9.44(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-5-[hydroxy(phenyl)methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=O)C1=C(CCCN2C(=O)C(=CC3=CC=C(C=C3)Cl)SC2=S)O)C)C#N

DOS

IR

Vibrations