Geometry & MOs

Info

ID:

322643

PubChem CID:

126670714

Reduced:

O3N7C37H39 (1)

Stoich.:

A3B7C37D39 (1)

Weight, g/mol:

531.13827

ΔHf, kcal/mol:

57.71

Dipole, Da:

4.93

IP(EA), eV:

 -8.51(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-2-[5-(4-iodo-3-methyl-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)C3=CC(=C(C=C3)C#CC#CC4=CN=C(N4)[C@@H]5CCCN5)C6=CC=CC=C6)NC(=O)OC

DOS

IR

Vibrations