Geometry & MOs

Info

ID:

322680

PubChem CID:

126670803

Reduced:

O3N4C23H27 (2)

Stoich.:

A3B4C23D27 (2)

Weight, g/mol:

535.1132

ΔHf, kcal/mol:

-79.63

Dipole, Da:

6.42

IP(EA), eV:

 -8.84(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-2-[5-(3-fluoro-4-iodo-5-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C#CC#C/C(=C(/C=C)\C3=CC=CC(=C3)C4=CC=CC=C4)/N=C([C@@H]5CCCN5C(=O)[C@H](C(C)C)NC(=O)OC)N)NC(=O)OC

DOS

IR

Vibrations