Geometry & MOs

Info

ID:

447980

PubChem CID:

135287314

Reduced:

FSN8H17C23 (1)

Stoich.:

ABC8D17E23 (1)

Weight, g/mol:

646.191086

ΔHf, kcal/mol:

192.85

Dipole, Da:

13.9

IP(EA), eV:

 -8.61(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CN(C)C1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=NC=C(C5=N4)C6=CC=C(S6)F

DOS

IR

Vibrations