Geometry & MOs

Info

ID:

328155

PubChem CID:

126692304

Reduced:

N3F5O5H28C30 (1)

Stoich.:

A3B5C5D28E30 (1)

Weight, g/mol:

637.221127

ΔHf, kcal/mol:

-390.02

Dipole, Da:

4.0

IP(EA), eV:

 -9.1(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[6-(3,3-difluoroazetidin-1-yl)-2-[[(4S,5R)-4-methyl-5-[(1S)-1-methyl-5-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-methoxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CC(C3)(F)F)C4=C(C=CC(=C4)CCC(=O)O)OC)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations