Geometry & MOs

Info

ID:

160807

PubChem CID:

57389846

Reduced:

SF3N3O5H24C27 (1)

Stoich.:

AB3C3D5E24F27 (1)

Weight, g/mol:

555.139483

ΔHf, kcal/mol:

-214.62

Dipole, Da:

4.97

IP(EA), eV:

 -9.23(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NO2)C3=CC=CC=C3OC(F)F)COC4CCN(CC4)C5=NC6=C(C=C(C=C6S5)C(=O)O)F

DOS

IR

Vibrations