Geometry & MOs

Info

ID:

322866

PubChem CID:

126671488

Reduced:

N4O4C25H38 (1)

Stoich.:

A4B4C25D38 (1)

Weight, g/mol:

588.205195

ΔHf, kcal/mol:

-185.22

Dipole, Da:

8.38

IP(EA), eV:

 -9.61(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-[[(2S)-2-(2-chlorophenyl)cyclopropyl]methyl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C#N)NC(C2CC(CN2C(=O)C(C(C)(C)C)NC(=O)C(C)(C)C)O)O

DOS

IR

Vibrations