Geometry & MOs

Info

ID:	262501
PubChem CID:	103297162
Reduced:	FN3O4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	298.0965
ΔH_f, kcal/mol:	-134.47
Dipole, Da:	4.89
IP(EA), eV:	-9.86(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(2-fluoro-3-methyl-5-nitrobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CCCNC(=O)CNC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])C)F

DOS

IR

Vibrations