Geometry & MOs

Info

ID:

448011

PubChem CID:

135287564

Reduced:

FON9H24C28 (1)

Stoich.:

ABC9D24E28 (1)

Weight, g/mol:

624.206736

ΔHf, kcal/mol:

151.46

Dipole, Da:

9.18

IP(EA), eV:

 -8.8(-2.41)

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]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=CN=CC4=N/C(=C\5/C6=C(C=CC(=N6)C7=CN=CN=C7)NN5)/N=C34)F

DOS

IR

Vibrations