Geometry & MOs

Info

ID:

449983

PubChem CID:

135302962

Reduced:

O2N6C23H24 (1)

Stoich.:

A2B6C23D24 (1)

Weight, g/mol:

443.216869

ΔHf, kcal/mol:

34.29

Dipole, Da:

5.23

IP(EA), eV:

 -8.5(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(hydroxymethyl)cyclopropyl]methyl (2R)-3-hydroxy-2-[[(8R)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

C1CN(CC2([C@H]1C(=O)NC[C@H](C3=CC=CC(=C3)C#N)O)CC2)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations