Geometry & MOs

Info

ID:

314960

PubChem CID:

126624025

Reduced:

SN2O5C28H40 (1)

Stoich.:

AB2C5D28E40 (1)

Weight, g/mol:

593.11863

ΔHf, kcal/mol:

-218.07

Dipole, Da:

2.37

IP(EA), eV:

 -8.77(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-N-(6-bromopyridin-2-yl)-4-fluoro-1-[2-[5-(2-methylpyrimidin-5-yl)-3-(2-oxopropyl)indazol-1-yl]acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1CNCCC2=C(C(=C(S2)[C@H](C)C3CCC4(CC3)OCCO4)C)C(=O)OC)OC)C

DOS

IR

Vibrations