Geometry & MOs

Info

ID:

394288

PubChem CID:

135022682

Reduced:

O5N9H33C41 (1)

Stoich.:

A5B9C33D41 (1)

Weight, g/mol:

515.19574

ΔHf, kcal/mol:

35.99

Dipole, Da:

12.1

IP(EA), eV:

 -8.82(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[4-[[(3S)-1-benzyl-2-oxo-3-prop-2-ynylindol-3-yl]methyl]triazol-1-yl]ethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(C2=O)(CC4=CN(N=N4)CCN5C(=O)C6=CC=CC=C6C5=O)CC7=CN(N=N7)CCN8C(=O)C9=CC=CC=C9C8=O

DOS

IR

Vibrations