Geometry & MOs

Info

ID:

325544

PubChem CID:

126683879

Reduced:

SO5N8C29H36 (1)

Stoich.:

AB5C8D29E36 (1)

Weight, g/mol:

533.286286

ΔHf, kcal/mol:

17.96

Dipole, Da:

5.02

IP(EA), eV:

 -9.45(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)-6-[[(1S,2R)-2-[(methylideneamino)methyl]cyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)COC1=CC2=C(NN=C2N=C1)C3CCN(CC3)C4=NC(=NC(=C4)C(=O)NC56CC(C5)C6)OC[C@H]7C[C@H]7CN=C

DOS

IR

Vibrations