Geometry & MOs

Info

ID:

443299

PubChem CID:

135258468

Reduced:

ClFNO2H21C24 (1)

Stoich.:

ABCD2E21F24 (1)

Weight, g/mol:

582.148154

ΔHf, kcal/mol:

12.13

Dipole, Da:

2.53

IP(EA), eV:

 -9.0(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[2-chloro-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C=CCC1=C(C(=CC=C1)F)C2=NOC(=C2COC3=CC(=C(C=C3)C=C)Cl)C4CC4

DOS

IR

Vibrations