Geometry & MOs

Info

ID:	441867
PubChem CID:	135246171
Reduced:	OF3N6H17C21 (1)
Stoich.:	AB3C6D17E21 (1)
Weight, g/mol:	275.107005
ΔH_f, kcal/mol:	-32.03
Dipole, Da:	4.5
IP(EA), eV:	-8.54(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-amino-3-(1,2-dihydropyridin-3-yl)-3-(2-fluoroanilino)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N(/C(=C(/C(=O)N=C(C2=C(C=CC(=C2)F)F)N)\N)/C3=CC=NC=C3)N)F

DOS

IR

Vibrations