Geometry & MOs

Info

ID:

426574

PubChem CID:

135150215

Reduced:

S2N9O9C47H53 (1)

Stoich.:

A2B9C9D47E53 (1)

Weight, g/mol:

482.217872

ΔHf, kcal/mol:

-151.77

Dipole, Da:

14.66

IP(EA), eV:

 -8.43(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyridin-2-yl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CN(C(=O)O)C(C)(C)C)S(=O)(=O)C1=C(C(=C(C=C1)C2=C3C(=CC=C2)N(C(=N3)N)C)C4=NN(N=N4)CC5=CC=C(C=C5)OC)S(=O)(=O)N(CC6=CC=C(C=C6)OC)CC7=CC=C(C=C7)OC

DOS

IR

Vibrations