Geometry & MOs

Info

ID:	35791
PubChem CID:	7980329
Reduced:	N2F3O6H15C18 (1)
Stoich.:	A2B3C6D15E18 (1)
Weight, g/mol:	344.100836
ΔH_f, kcal/mol:	-283.61
Dipole, Da:	6.11
IP(EA), eV:	-9.51(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations