Geometry & MOs

Info

ID:

402070

PubChem CID:

135054147

Reduced:

ClFN3O4H11C18 (1)

Stoich.:

ABC3D4E11F18 (1)

Weight, g/mol:

479.210801

ΔHf, kcal/mol:

-30.65

Dipole, Da:

3.72

IP(EA), eV:

 -10.07(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2S)-2-fluoro-2-[(S)-(4-methylphenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-naphthalen-2-yl-3-oxopropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@H]2[C@@H]([C@]2(C#N)C(=O)NC(=O)C3=CC=CC=C3F)[N+](=O)[O-])Cl

DOS

IR

Vibrations