Geometry & MOs

Info

ID:

439430

PubChem CID:

135229204

Reduced:

N7O11C55H57 (1)

Stoich.:

A7B11C55D57 (1)

Weight, g/mol:

425.206304

ΔHf, kcal/mol:

-226.8

Dipole, Da:

3.03

IP(EA), eV:

 -8.52(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,9R,10S,11R,12R,19S)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carbonyl azide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C)C(=O)NC1=CC(=CC(=C1)COC2=C(C=C3C(=C2)N=CC4CC5=CC=CC=C5N4C3=O)OC)COC6=C(C=C7C(=C6)NC[C@@H]8CC9=CC=CC=C9N8C7=O)OC)NC(=O)CCCCC(=O)OC

DOS

IR

Vibrations