Geometry & MOs

Info

ID:

328114

PubChem CID:

126692117

Reduced:

F2N3O3H25C26 (1)

Stoich.:

A2B3C3D25E26 (1)

Weight, g/mol:

694.258989

ΔHf, kcal/mol:

-124.88

Dipole, Da:

5.12

IP(EA), eV:

 -8.91(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[2-(azetidin-1-yl)-4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=CC=CC=C4OC)C5=CC(=C(C=C5)F)F

DOS

IR

Vibrations