Geometry & MOs

Info

ID:

237123

PubChem CID:

92717518

Reduced:

N3O4C28H29 (1)

Stoich.:

A3B4C28D29 (1)

Weight, g/mol:

459.215806

ΔHf, kcal/mol:

-92.5

Dipole, Da:

7.02

IP(EA), eV:

 -8.45(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(13R)-8-(4-methoxyphenyl)-3,5,10,10-tetramethyl-13-(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=C(C=C4)OC)C(=O)N(C(=O)N3C)C)/C=C/C5=CC=CC=C5)C

DOS

IR

Vibrations