Geometry & MOs

Info

ID:

436528

PubChem CID:

135204968

Reduced:

ClF2O3N7H24C28 (1)

Stoich.:

AB2C3D7E24F28 (1)

Weight, g/mol:

477.228851

ΔHf, kcal/mol:

-70.23

Dipole, Da:

2.86

IP(EA), eV:

 -9.06(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-[3-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-5-tert-butyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC2=NC=CN=C2C=C1)N3C=C(C(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(N=N5)C(F)F)OC

DOS

IR

Vibrations