Geometry & MOs

Info

ID:

447893

PubChem CID:

135286616

Reduced:

FSN7H18C24 (1)

Stoich.:

ABC7D18E24 (1)

Weight, g/mol:

653.233285

ΔHf, kcal/mol:

174.9

Dipole, Da:

8.8

IP(EA), eV:

 -8.54(-2.23)

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-c]pyridin-5-yl]pyridin-3-yl]-2-piperidin-4-ylacetamide

Drug info:

PubChemData

Smile

CN(C)C1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CC=C(S6)F)/NN3

DOS

IR

Vibrations