Geometry & MOs

Info

ID:

422801

PubChem CID:

135118431

Reduced:

O3N4C21H26 (1)

Stoich.:

A3B4C21D26 (1)

Weight, g/mol:

572.311104

ΔHf, kcal/mol:

2.54

Dipole, Da:

3.07

IP(EA), eV:

 -9.18(-0.41)

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]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)CN2C[C@H]3CN([C@@H](C2)COC3)C(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations