Geometry & MOs

Info

ID:

163816

PubChem CID:

74380494

Reduced:

N3O3F9H22C27 (1)

Stoich.:

A3B3C9D22E27 (1)

Weight, g/mol:

548.164695

ΔHf, kcal/mol:

-537.45

Dipole, Da:

4.52

IP(EA), eV:

 -9.4(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-oxo-1-[4-(trifluoromethoxy)phenyl]-4-[2-[6-(trifluoromethyl)pyridin-3-yl]propan-2-ylamino]pyrrolidin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C1=CN=C(C=C1)C(F)(F)F)NC2CC(N(C2=O)C3=CC=C(C=C3)OC(F)(F)F)C4=CC(=CC=C4)OC(F)(F)F

DOS

IR

Vibrations