Geometry & MOs

Info

ID:

415939

PubChem CID:

135088941

Reduced:

N6O6C33H40 (1)

Stoich.:

A6B6C33D40 (1)

Weight, g/mol:

575.322003

ΔHf, kcal/mol:

-211.49

Dipole, Da:

5.16

IP(EA), eV:

 -8.8(-0.35)

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-pyrazol-1-ylacetamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)NCCN([C@@H](C(=O)N[C@@H](C(=O)N1)CC2=CNC3=CC=CC=C32)C)C(=O)[C@@H]4CCCO4)CC5=CC=CC=C5

DOS

IR

Vibrations