Geometry & MOs

Info

ID:

237120

PubChem CID:

92717479

Reduced:

ClN3O3H24C25 (1)

Stoich.:

AB3C3D24E25 (1)

Weight, g/mol:

489.226371

ΔHf, kcal/mol:

-71.88

Dipole, Da:

6.23

IP(EA), eV:

 -8.62(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(13S)-13-(2,5-dimethoxyphenyl)-3,5,10,10-tetramethyl-8-(4-methylphenyl)-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione

Drug info:

PubChemData

Smile

CC1(CO[C@@H](C2=C3C(=C(N21)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C)C5=CC(=CC=C5)Cl)C

DOS

IR

Vibrations