Geometry & MOs

Info

ID:

396345

PubChem CID:

135028115

Reduced:

O8H20C25 (1)

Stoich.:

A8B20C25 (1)

Weight, g/mol:

412.199822

ΔHf, kcal/mol:

-247.34

Dipole, Da:

5.56

IP(EA), eV:

 -9.06(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,9R,10R,12R,19R)-12-ethyl-10-hydroxy-5-methoxy-8-methyl-11-oxo-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

C1OC2=C(O1)C=C(C=C2)[C@@H]3[C@H]([C@@H](C4=C3C=CC(=C4)O)C5=CC=CC=C5OCC(=O)O)C(=O)O

DOS

IR

Vibrations