Geometry & MOs

Info

ID:

181800

PubChem CID:

76793861

Reduced:

LiO2H7C10 (2)

Stoich.:

AB2C7D10 (2)

Weight, g/mol:

572.206897

ΔHf, kcal/mol:

-90.34

Dipole, Da:

8.97

IP(EA), eV:

 -6.71(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[1-[4-hydroxy-4-(5-pyridin-3-yl-1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]-2-oxopropyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

[Li+].[Li+].C1=CC=C(C(=C1)[C-]=O)C2=CC=C(C=C2)C3=CC=C(C=C3)[C-]=O.[OH-].[OH-]

DOS

IR

Vibrations