Geometry & MOs

Info

ID:

45024

PubChem CID:

10507277

Reduced:

N4O5C33H38 (1)

Stoich.:

A4B5C33D38 (1)

Weight, g/mol:

570.309372

ΔHf, kcal/mol:

-138.41

Dipole, Da:

4.8

IP(EA), eV:

 -9.06(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,4R,8R,9S,10Z,12R)-11-(benzamidomethyl)-12-methoxy-1,5-dimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] N-phenylcarbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)CN2CCC(CC2)OC3=CC(=C(C=C3)C(=O)N4CCC(CC4)N5C6=CC=CC=C6COC5=O)OC

DOS

IR

Vibrations