Geometry & MOs

Info

ID:

434410

PubChem CID:

135174891

Reduced:

ON6C26H28 (1)

Stoich.:

AB6C26D28 (1)

Weight, g/mol:

966.409832

ΔHf, kcal/mol:

94.23

Dipole, Da:

4.65

IP(EA), eV:

 -9.28(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-4-hydroxy-N-[[2-[2-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=NC(=CC(=C2)OCCC3=CC=NC=C3)/C=C/C4=CC(=CN=C4)C#N

DOS

IR

Vibrations