Geometry & MOs

Info

ID:	441866
PubChem CID:	135246164
Reduced:	FO2N6H21C23 (1)
Stoich.:	AB2C6D21E23 (1)
Weight, g/mol:	426.141594
ΔH_f, kcal/mol:	57.15
Dipole, Da:	4.05
IP(EA), eV:	-8.91(-0.92)
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-pyridin-4-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N(/C(=C(/C2=NC(=NO2)C3=CC=C(C=C3)CCO)\N)/C4=CC=NC=C4)N)F

DOS

IR

Vibrations