Geometry & MOs

Info

ID:

328039

PubChem CID:

126691818

Reduced:

N3O5F7H26C30 (1)

Stoich.:

A3B5C7D26E30 (1)

Weight, g/mol:

621.206225

ΔHf, kcal/mol:

-504.84

Dipole, Da:

8.62

IP(EA), eV:

 -8.84(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[6-(azetidin-1-yl)-2-[[(4S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-methylpyridin-3-yl]-4-methoxyphenyl]acetaldehyde

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations