Geometry & MOs

Info

ID:

328091

PubChem CID:

126692025

Reduced:

N3O5F6H31C32 (1)

Stoich.:

A3B5C6D31E32 (1)

Weight, g/mol:

650.232775

ΔHf, kcal/mol:

-473.62

Dipole, Da:

7.04

IP(EA), eV:

 -8.83(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[2-(azetidin-1-yl)-4-[[5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbutanal

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations