Geometry & MOs

Info

ID:

325105

PubChem CID:

126680764

Reduced:

O3N9C29H37 (1)

Stoich.:

A3B9C29D37 (1)

Weight, g/mol:

534.251458

ΔHf, kcal/mol:

46.32

Dipole, Da:

3.02

IP(EA), eV:

 -8.12(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3,3-difluorobutan-2-yl]-4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=NC(=NC(=N1)OCC2(CC2)C#C)N3CCC(CC3)COC4=C(N=CC(=C4)C5=CN(C=N5)C)N

DOS

IR

Vibrations