Geometry & MOs

Info

ID:

317526

PubChem CID:

126642957

Reduced:

O4N6H26C27 (1)

Stoich.:

A4B6C26D27 (1)

Weight, g/mol:

652.07491

ΔHf, kcal/mol:

-24.53

Dipole, Da:

12.27

IP(EA), eV:

 -8.5(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-chloropyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2CCN2C(=O)CN3C4=C(C=C(C=C4)C5=CN=C(C=C5)OC)C(=N3)C(=O)C

DOS

IR

Vibrations