Geometry & MOs

Info

ID:

303571

PubChem CID:

124489916

Reduced:

N3O4C24H25 (1)

Stoich.:

A3B4C24D25 (1)

Weight, g/mol:

456.226037

ΔHf, kcal/mol:

-129.66

Dipole, Da:

3.73

IP(EA), eV:

 -9.31(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=CC=CC=C2N3[C@@]1(CCC3=O)C(=O)NC4=CC=CC(=C4)C(=O)C

DOS

IR

Vibrations