Geometry & MOs

Info

ID:

309979

PubChem CID:

126572031

Reduced:

O2S3N4C12H22 (1)

Stoich.:

A2B3C4D12E22 (1)

Weight, g/mol:

676.363613

ΔHf, kcal/mol:

-65.47

Dipole, Da:

8.42

IP(EA), eV:

 -8.79(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[6-[[[2-(dimethylamino)-2-oxoacetyl]amino]methyl]-4-(4,4-dimethylpiperidin-1-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(C/C(=N/NC(=S)N)/C1SCCCS1)C(=O)O

DOS

IR

Vibrations