Geometry & MOs

Info

ID:	22690
PubChem CID:	598371
Reduced:	N3O3F4C9H9 (1)
Stoich.:	A3B3C4D9E9 (1)
Weight, g/mol:	283.058004
ΔH_f, kcal/mol:	-291.78
Dipole, Da:	3.67
IP(EA), eV:	-9.88(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-fluoro-1H-imidazol-5-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CN=C(N1)F)NC(=O)C(F)(F)F

DOS

IR

Vibrations