Geometry & MOs

Info

ID:	441864
PubChem CID:	135246162
Reduced:	FON7H22C24 (1)
Stoich.:	ABC7D22E24 (1)
Weight, g/mol:	428.157244
ΔH_f, kcal/mol:	108.0
Dipole, Da:	3.9
IP(EA), eV:	-8.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-amino-N-[amino-(2,5-difluorophenyl)methylidene]-3-(N-amino-2-fluoroanilino)-3-(1,2-dihydropyridin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CNCC2=C1C=CC(=C2)C3=NOC(=N3)/C(=C(\C4=CC=NC=C4)/N(C5=CC=CC=C5F)N)/N

DOS

IR

Vibrations