Geometry & MOs

Info

ID:

379692

PubChem CID:

134457982

Reduced:

N5H7F8C16 (1)

Stoich.:

A5B7C8D16 (1)

Weight, g/mol:

644.05064

ΔHf, kcal/mol:

-282.39

Dipole, Da:

2.38

IP(EA), eV:

 -10.0(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-2-methylcyclopropyl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=NC(=NN2C(=C1C(F)(F)F)C3=CC4=C(C(=C3)C(F)(F)F)NN=C4)C(F)F

DOS

IR

Vibrations