Geometry & MOs

Info

ID:

417236

PubChem CID:

135091756

Reduced:

O3N5C21H23 (1)

Stoich.:

A3B5C21D23 (1)

Weight, g/mol:

524.220575

ΔHf, kcal/mol:

-1.63

Dipole, Da:

4.56

IP(EA), eV:

 -9.22(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-8,14-dimethyl-20-(2-thiophen-2-ylacetyl)-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

CC1=C2CN(CCC2=NN1)C(=O)C3=C(ON=C3N4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations