Geometry & MOs

Info

ID:

317532

PubChem CID:

126643049

Reduced:

BrFO3N8C29H30 (1)

Stoich.:

ABC3D8E29F30 (1)

Weight, g/mol:

524.234745

ΔHf, kcal/mol:

-51.65

Dipole, Da:

9.12

IP(EA), eV:

 -9.04(-0.9)

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]-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@](C[C@H]4C(=O)NC5=NC(=CC=C5)Br)(CN(C)C)F

DOS

IR

Vibrations