Geometry & MOs

Info

ID:

432252

PubChem CID:

135172384

Reduced:

O3N5C29H35 (1)

Stoich.:

A3B5C29D35 (1)

Weight, g/mol:

546.230077

ΔHf, kcal/mol:

-10.24

Dipole, Da:

3.03

IP(EA), eV:

 -8.52(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-4-hydroxy-N-[[2-methyl-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

CN1CCN(CC1)CCOC2=C3COC/C=C/COCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2

DOS

IR

Vibrations