Geometry & MOs

Info

ID:

328102

PubChem CID:

126692066

Reduced:

N3H25C26 (1)

Stoich.:

A3B25C26 (1)

Weight, g/mol:

551.164361

ΔHf, kcal/mol:

109.44

Dipole, Da:

3.78

IP(EA), eV:

 -8.53(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-3-[[6-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)pyridin-2-yl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NC1)C)C2=CC(=C(C(=C2)C)NC=C)C3=C(N=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations