Geometry & MOs

Info

ID:

328024

PubChem CID:

126691774

Reduced:

F3N3O5C34H36 (1)

Stoich.:

A3B3C5D34E36 (1)

Weight, g/mol:

685.182296

ΔHf, kcal/mol:

-306.09

Dipole, Da:

6.0

IP(EA), eV:

 -8.36(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-(3,3-difluoroazetidin-1-yl)pyridin-3-yl]-4-methoxyphenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC1CCC2=CC(=C(C=C12)C3=C(N=C(C=C3)N4CCC4)CN5[C@H]([C@H](OC5=O)C6=CC(=CC=C6)C(F)(F)F)C)OC

DOS

IR

Vibrations