Geometry & MOs

Info

ID:

320204

PubChem CID:

126658699

Reduced:

O2N8C25H34 (1)

Stoich.:

A2B8C25D34 (1)

Weight, g/mol:

574.314183

ΔHf, kcal/mol:

27.33

Dipole, Da:

4.72

IP(EA), eV:

 -8.33(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4S,5S)-5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[3,5-dimethoxy-4-(2-propan-2-yloxyethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C(=O)NCCCN(C)C)NC(C2=CC=CC(=N2)C3=CC(=NC=C3)NCC4CC4)O

DOS

IR

Vibrations