Geometry & MOs

Info

ID:

328038

PubChem CID:

126691817

Reduced:

N2F3O3H16C18 (2)

Stoich.:

A2B3C3D16E18 (2)

Weight, g/mol:

641.176068

ΔHf, kcal/mol:

-451.96

Dipole, Da:

11.23

IP(EA), eV:

 -9.02(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-2-fluoro-4-hydroxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=NC(=NC=C2C3=C(C=CC(=C3)C4=C(C=C(C=C4)C(=O)O)C)OC)N5CC(C5)OC)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations