Geometry & MOs

Info

ID:

444132

PubChem CID:

135261430

Reduced:

FON8C33H33 (1)

Stoich.:

ABC8D33E33 (1)

Weight, g/mol:

653.233285

ΔHf, kcal/mol:

110.0

Dipole, Da:

4.74

IP(EA), eV:

 -8.66(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]-2-piperidin-4-ylacetamide

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)OCCN7CCCC7)/NN3

DOS

IR

Vibrations