Geometry & MOs

Info

ID:

328007

PubChem CID:

126691717

Reduced:

N5O5F9H28C35 (1)

Stoich.:

A5B5C9D28E35 (1)

Weight, g/mol:

551.164361

ΔHf, kcal/mol:

-548.69

Dipole, Da:

8.39

IP(EA), eV:

 -9.28(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,5R)-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

CC1C(OC(=O)N1CC2=NC(=NC=C2C3=CC(=C(C=C3OC)F)C4=CN=C(C=C4C)C(=O)OC)N5CC(C5)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations