Geometry & MOs

Info

ID:

83890

PubChem CID:

49862245

Reduced:

F2N2O3C29H36 (1)

Stoich.:

A2B2C3D29E36 (1)

Weight, g/mol:

609.140896

ΔHf, kcal/mol:

-222.6

Dipole, Da:

5.79

IP(EA), eV:

 -9.52(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-yl]-methylamino]methyl]phenoxy]ethanol

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNC2(CCCCC2)C3=CC=CC(=C3)C4CCCC4=O)O

DOS

IR

Vibrations