Geometry & MOs

Info

ID:

328133

PubChem CID:

126692190

Reduced:

N3O5F6H29C32 (1)

Stoich.:

A3B5C6D29E32 (1)

Weight, g/mol:

579.254478

ΔHf, kcal/mol:

-446.76

Dipole, Da:

7.97

IP(EA), eV:

 -8.76(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[3-[6-(azetidin-1-yl)-2-[[(5R)-5-(3,5-difluorophenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-methoxyphenyl]-3-methylbutanoate

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CC(C5)C(=O)O)O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations