Geometry & MOs

Info

ID:

328037

PubChem CID:

126691815

Reduced:

ClSO3N5H22C23 (1)

Stoich.:

ABC3D5E22F23 (1)

Weight, g/mol:

730.222604

ΔHf, kcal/mol:

-29.02

Dipole, Da:

5.79

IP(EA), eV:

 -8.7(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(C[C@H](N2C1=C3C(=C2C4=CC(=CC=C4)N=C)C(=O)N(C(=O)N3C)C)CO)C5=NC(=CS5)Cl

DOS

IR

Vibrations