Geometry & MOs

Info

ID:

418524

PubChem CID:

135105510

Reduced:

ON5C19H25 (1)

Stoich.:

AB5C19D25 (1)

Weight, g/mol:

801.397373

ΔHf, kcal/mol:

16.36

Dipole, Da:

3.8

IP(EA), eV:

 -8.62(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(6-fluoro-1H-benzimidazol-2-yl)-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]propanamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CN4C=CC=C4

DOS

IR

Vibrations