Geometry & MOs

Info

ID:

307372

PubChem CID:

125299709

Reduced:

N3O5H23C25 (1)

Stoich.:

A3B5C23D25 (1)

Weight, g/mol:

445.163771

ΔHf, kcal/mol:

-95.96

Dipole, Da:

1.7

IP(EA), eV:

 -8.68(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,11S,12R,16S)-14-(1,3-benzodioxol-5-yl)-11-(2,2-dimethylpropanoyl)-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)[C@@H]1[C@H]2[C@H]([C@H]3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations