Geometry & MOs

Info

ID:

237121

PubChem CID:

92717483

Reduced:

N3O5C28H31 (1)

Stoich.:

A3B5C28D31 (1)

Weight, g/mol:

492.192818

ΔHf, kcal/mol:

-152.5

Dipole, Da:

6.61

IP(EA), eV:

 -8.38(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3C(=C4N2C(CO[C@H]4C5=C(C=CC(=C5)OC)OC)(C)C)N(C(=O)N(C3=O)C)C

DOS

IR

Vibrations