Geometry & MOs

Info

ID:

297851

PubChem CID:

117633842

Reduced:

FSN3O4H34C37 (1)

Stoich.:

ABC3D4E34F37 (1)

Weight, g/mol:

727.206523

ΔHf, kcal/mol:

-48.93

Dipole, Da:

2.33

IP(EA), eV:

 -9.23(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

2-[[4-[2-[5-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]-1,2-oxazol-3-yl]-2-(4-tert-butylphenyl)ethyl]benzoyl]amino]ethanesulfinate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(CC2=CC=C(C=C2)C(=O)NCCS(=O)O)C3=NOC(=C3)C4=CC=CC(=C4)C5=C(C=C(C=C5)C#N)F

DOS

IR

Vibrations