Geometry & MOs

Info

ID:

163723

PubChem CID:

58874640

Reduced:

SF3N4O4C33H37 (1)

Stoich.:

AB3C4D4E33F37 (1)

Weight, g/mol:

674.126932

ΔHf, kcal/mol:

-285.07

Dipole, Da:

6.15

IP(EA), eV:

 -9.32(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-propan-2-ylphenyl)sulfonyl-2-[3-[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]benzamide

Drug info:

PubChemData

Smile

CCCCCC(=O)NS(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC(=CC(=C4)C)C(F)(F)F)CCC(C)C

DOS

IR

Vibrations