Geometry & MOs

Info

ID:

327992

PubChem CID:

126691646

Reduced:

N3O5F6H33C34 (1)

Stoich.:

A3B5C6D33E34 (1)

Weight, g/mol:

674.215233

ΔHf, kcal/mol:

-452.96

Dipole, Da:

10.66

IP(EA), eV:

 -8.73(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[6-(azetidin-1-yl)-2-[[(4S)-5-[3-cyano-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-2-fluoro-4-methoxyphenyl]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(C(=CC(=N2)N3CCC3)C)C4=C(C=CC(=C4)C5CC(C5)C(=O)O)OC)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations