Geometry & MOs

Info

ID:

398815

PubChem CID:

135035568

Reduced:

N2O3C19H20 (1)

Stoich.:

A2B3C19D20 (1)

Weight, g/mol:

423.131802

ΔHf, kcal/mol:

-74.22

Dipole, Da:

6.24

IP(EA), eV:

 -8.26(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(13R,14S,18R,19S)-19-hydroxy-12-(4-hydroxyphenyl)-16,16-dimethyl-5,7,15,17-tetraoxa-12-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-1(20),2,4(8),9-tetraen-11-one

Drug info:

PubChemData

Smile

CN1C(=C(NC1=O)CC2=CC=C(C=C2)O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations