Geometry & MOs

Info

ID:

447968

PubChem CID:

135287202

Reduced:

FO2N8H27C31 (1)

Stoich.:

AB2C8D27E31 (1)

Weight, g/mol:

596.175436

ΔHf, kcal/mol:

64.0

Dipole, Da:

7.83

IP(EA), eV:

 -8.94(-2.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C/5\N=C6C=NC=C(C6=N5)C7=CC(=CC(=C7)F)O

DOS

IR

Vibrations