Geometry & MOs

Info

ID:	438436
PubChem CID:	135228177
Reduced:	ClO2F3N6H22C25 (1)
Stoich.:	AB2C3D6E22F25 (1)
Weight, g/mol:	226.095357
ΔH_f, kcal/mol:	-81.68
Dipole, Da:	3.11
IP(EA), eV:	-9.59(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z,4Z)-2-[(2-amino-2-oxoethyl)-methylamino]-6-oxohexa-2,4-dienoate

Drug info:

PubChemData

Smile

C/C(=C\C=C/C(=C)[C@H]1COC(=N1)C2=C3CN4C(=NN=C4C5=C(N3C=N2)C=CC(=C5)Cl)COC)/C(F)(F)F

DOS

IR

Vibrations