Geometry & MOs

Info

ID:	194725
PubChem CID:	78582097
Reduced:	FBr2S2N3O5H18C28 (1)
Stoich.:	AB2C2D3E5F18G28 (1)
Weight, g/mol:	417.168856
ΔH_f, kcal/mol:	-138.97
Dipole, Da:	3.0
IP(EA), eV:	-9.25(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(2,4-dimethoxyanilino)methylidene]-4-methyl-2,6-dioxo-1-(1-phenylethyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)COC2=C(C=C(C=C2)Br)[C@@H]3C4C(C(=O)N(C4=O)C5=CC=C(C=C5)Br)SC6=C3SC(=O)N6)F

DOS

IR

Vibrations