Geometry & MOs

Info

ID:

320346

PubChem CID:

126659622

Reduced:

ClNF3O6H21C22 (1)

Stoich.:

ABC3D6E21F22 (1)

Weight, g/mol:

478.182334

ΔHf, kcal/mol:

-396.9

Dipole, Da:

3.9

IP(EA), eV:

 -9.6(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetaldehyde

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=CC=C(C=C2)C[C@H](CC(C(=O)OCCC(F)(F)F)O)NC(=O)C(=O)O

DOS

IR

Vibrations