Geometry & MOs

Info

ID:

422885

PubChem CID:

135118566

Reduced:

N2O4C21H26 (1)

Stoich.:

A2B4C21D26 (1)

Weight, g/mol:

663.309055

ΔHf, kcal/mol:

-72.53

Dipole, Da:

5.33

IP(EA), eV:

 -8.09(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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]-2-(4-methylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)CC3=CC4=C(C(=CC=C4)OC)OC3

DOS

IR

Vibrations