Geometry & MOs

Info

ID:

447860

PubChem CID:

135286407

Reduced:

SO2N7H27C30 (1)

Stoich.:

AB2C7D27E30 (1)

Weight, g/mol:

659.31325

ΔHf, kcal/mol:

100.06

Dipole, Da:

12.12

IP(EA), eV:

 -8.54(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)CC(C)(C)C)/C=C32

DOS

IR

Vibrations