Geometry & MOs

Info

ID:

227102

PubChem CID:

87560186

Reduced:

ClSO3H11C18 (1)

Stoich.:

ABC3D11E18 (1)

Weight, g/mol:

536.332453

ΔHf, kcal/mol:

-46.59

Dipole, Da:

5.8

IP(EA), eV:

 -8.48(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-(trideuteriomethyl)amino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] cyclopropanecarboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C=C4C(=CC3=CC2=C1)C=CC(=C4S(=O)(=O)O)Cl

DOS

IR

Vibrations