Geometry & MOs

Info

ID:

448004

PubChem CID:

135287489

Reduced:

ClOF2N7H24C26 (1)

Stoich.:

ABC2D7E24F26 (1)

Weight, g/mol:

632.313584

ΔHf, kcal/mol:

21.53

Dipole, Da:

6.33

IP(EA), eV:

 -9.72(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-2-piperidin-4-ylacetamide

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@]1(C3=NN=C(C=C23)C4=C(C=CC=C4F)F)C5=NC(=NC=C5Cl)C6=NNC(=N6)C(C)(C)O)C

DOS

IR

Vibrations