Geometry & MOs

Info

ID:

299234

PubChem CID:

117682276

Reduced:

OSF3N3H20C21 (1)

Stoich.:

ABC3D3E20F21 (1)

Weight, g/mol:

574.256704

ΔHf, kcal/mol:

-132.52

Dipole, Da:

10.86

IP(EA), eV:

 -9.06(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(3aR,7aR)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-oxo-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-N-(5,5-dimethylhexan-2-yloxy)-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)N2[C@H]3CCCC[C@@H]3N(C2=O)C4=CC(=C(C=C4)C#N)C(F)(F)F

DOS

IR

Vibrations