Geometry & MOs

Info

ID:

328138

PubChem CID:

126692203

Reduced:

O2N4C21H26 (1)

Stoich.:

A2B4C21D26 (1)

Weight, g/mol:

759.129485

ΔHf, kcal/mol:

29.28

Dipole, Da:

8.79

IP(EA), eV:

 -8.45(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[4-[[5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-5-fluoro-4-methoxyphenyl]-5-chloropyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

C/C(=C\C=C/C=C)/C1CCC1C2=NC(=O)C3=CNN(C3=N2)C4CCOCC4

DOS

IR

Vibrations