Geometry & MOs

Info

ID:	39842
PubChem CID:	8142554
Reduced:	N2F3O5C9H13 (1)
Stoich.:	A2B3C5D9E13 (1)
Weight, g/mol:	286.077656
ΔH_f, kcal/mol:	-278.84
Dipole, Da:	5.58
IP(EA), eV:	-9.03(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(3-nitrosobut-2-en-2-ylamino)oxypropanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@](C(F)(F)F)(O)ONC(=C(C)N=O)C

DOS

IR

Vibrations