Geometry & MOs

Info

ID:

179216

PubChem CID:

76452447

Reduced:

N3O5F6C37H41 (1)

Stoich.:

A3B5C6D37E41 (1)

Weight, g/mol:

551.223177

ΔHf, kcal/mol:

-491.27

Dipole, Da:

5.01

IP(EA), eV:

 -8.57(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations