Geometry & MOs

Info

ID:	39838
PubChem CID:	8142545
Reduced:	NF3O6C19H24 (1)
Stoich.:	AB3C6D19E24 (1)
Weight, g/mol:	419.155572
ΔH_f, kcal/mol:	-430.75
Dipole, Da:	3.93
IP(EA), eV:	-9.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-[(2S)-3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl]-2,6-dimethylanilino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)NC1=C(C=C(C=C1C)[C@@](C(=O)OCC)(C(F)(F)F)O)C

DOS

IR

Vibrations