Geometry & MOs

Info

ID:

134503

PubChem CID:

51708052

Reduced:

NO2H14C15 (2)

Stoich.:

AB2C14D15 (2)

Weight, g/mol:

480.204907

ΔHf, kcal/mol:

-52.41

Dipole, Da:

0.15

IP(EA), eV:

 -9.31(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,8R,11R)-6,13-bis(3,4-dimethylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,9-diene-5,7,12,14-tetrone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C(=O)[C@H]3C=C[C@H]4C5C3[C@@H](C2=O)C=C[C@@H]5C(=O)N(C4=O)C6=CC=CC(=C6C)C)C

DOS

IR

Vibrations