Geometry & MOs

Info

ID:

415748

PubChem CID:

135088748

Reduced:

N3O3C20H25 (1)

Stoich.:

A3B3C20D25 (1)

Weight, g/mol:

562.253983

ΔHf, kcal/mol:

-97.56

Dipole, Da:

2.86

IP(EA), eV:

 -8.69(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-20-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

Drug info:

PubChemData

Smile

CN1C=CC=C1CCC(=O)N[C@@H]2CCN(C[C@H]2O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations