Geometry & MOs

Info

ID:

423028

PubChem CID:

135118805

Reduced:

ClN6O8C37H47 (1)

Stoich.:

AB6C8D37E47 (1)

Weight, g/mol:

677.35772

ΔHf, kcal/mol:

-209.61

Dipole, Da:

5.53

IP(EA), eV:

 -8.93(-0.71)

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]-3-(2-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)CCC4=CC(=NO4)Cl

DOS

IR

Vibrations