Geometry & MOs

Info

ID:

418729

PubChem CID:

135106650

Reduced:

N3O3C22H29 (1)

Stoich.:

A3B3C22D29 (1)

Weight, g/mol:

561.306353

ΔHf, kcal/mol:

-122.57

Dipole, Da:

6.68

IP(EA), eV:

 -9.12(-0.64)

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]-1H-imidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)CCCN3C=NC4=CC=CC=C4C3=O)O

DOS

IR

Vibrations