Geometry & MOs

Info

ID:	441855
PubChem CID:	135246020
Reduced:	FON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	338.175419
ΔH_f, kcal/mol:	2.68
Dipole, Da:	1.53
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-amino-3-(N-amino-2-fluoroanilino)-4-morpholin-4-ylbut-2-enoate

Drug info:

PubChemData

Smile

CC/C(=C(\C1=NC(=NO1)C2=CC=CC=C2F)/N)/C

DOS

IR

Vibrations