Geometry & MOs

Info

ID:

328080

PubChem CID:

126691988

Reduced:

N4O5F7H29C34 (1)

Stoich.:

A4B5C7D29E34 (1)

Weight, g/mol:

535.191877

ΔHf, kcal/mol:

-430.55

Dipole, Da:

5.47

IP(EA), eV:

 -8.55(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-(3,5-difluorophenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-hydroxyphenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5=NC=C(C=C5)C(=O)O)OC)/C=C/C(=C\C(=C/F)\C(F)(F)F)/C(F)(F)F

DOS

IR

Vibrations