Geometry & MOs

Info

ID:

437227

PubChem CID:

135216214

Reduced:

SH26C37 (1)

Stoich.:

AB26C37 (1)

Weight, g/mol:

738.296186

ΔHf, kcal/mol:

154.73

Dipole, Da:

1.43

IP(EA), eV:

 -8.27(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-methyl-6-(trifluoromethylsulfonyloxy)pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

C/C=C\C1=CC2=C(C=C1C=C)C3=C(S2)C=CC(=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C7=CC=CC=C7

DOS

IR

Vibrations