Geometry & MOs

Info

ID:

328035

PubChem CID:

126691812

Reduced:

ClN4O4F6C33H33 (1)

Stoich.:

AB4C4D6E33F33 (1)

Weight, g/mol:

556.110073

ΔHf, kcal/mol:

-417.68

Dipole, Da:

8.68

IP(EA), eV:

 -9.51(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-3-[[5-(2-chlorophenyl)-2-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCC[C@H](CCCC1=CC(=C(C=C1)Cl)C2=CN=C(N=C2CN3[C@H]([C@H](OC3=O)C4=CC(=CC(=C4)F)C(F)(F)F)C)N5CC(C5)(F)F)C(=O)O

DOS

IR

Vibrations