Geometry & MOs

Info

ID:

421492

PubChem CID:

135116115

Reduced:

NO4C23H27 (1)

Stoich.:

AB4C23D27 (1)

Weight, g/mol:

653.353697

ΔHf, kcal/mol:

-142.58

Dipole, Da:

5.46

IP(EA), eV:

 -9.05(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,6S,9R,12S,19S,21R)-21-hydroxy-6-(1H-indol-3-ylmethyl)-9-methyl-3-(2-methylpropyl)-2,5,8,11,18-pentaoxo-1,4,7,10,17-pentazabicyclo[17.3.0]docosan-12-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)CC4=CC=C(C=C4)CO)OCC2

DOS

IR

Vibrations