Geometry & MOs

Info

ID:

420241

PubChem CID:

135112021

Reduced:

O3N4C21H22 (1)

Stoich.:

A3B4C21D22 (1)

Weight, g/mol:

657.343881

ΔHf, kcal/mol:

-50.71

Dipole, Da:

8.57

IP(EA), eV:

 -9.34(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3R,7R,10S,13S,15R)-3-(1H-indol-3-ylmethyl)-7-methyl-2,5,12-trioxo-10-propan-2-yl-1,4,11-triazabicyclo[11.3.0]hexadecan-15-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N[C@@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations