Geometry & MOs

Info

ID:

441644

PubChem CID:

135238298

Reduced:

O4N5C33H35 (1)

Stoich.:

A4B5C33D35 (1)

Weight, g/mol:

565.268905

ΔHf, kcal/mol:

-46.43

Dipole, Da:

4.84

IP(EA), eV:

 -8.81(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-(3-cyanophenyl)-5-[3-methoxy-5-[methyl(prop-2-enoyl)amino]phenyl]pyrrolo[2,3-b]pyridin-1-yl]ethyl 2-amino-3-methylpentanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O[C@@H](C)N1C=C(C2=C1N=CC(=C2)C3=CC(=CC(=C3)OC)N(C)C(=O)C=C)C4=CC=CC(=C4)C#N)N

DOS

IR

Vibrations