Geometry & MOs

Info

ID:

46489

PubChem CID:

10524664

Reduced:

SN2O6C18H22 (1)

Stoich.:

AB2C6D18E22 (1)

Weight, g/mol:

394.211724

ΔHf, kcal/mol:

-164.8

Dipole, Da:

5.56

IP(EA), eV:

 -8.75(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,4,6,9,11,13(16)-hexaene-3,8-dione

Drug info:

PubChemData

Smile

COC([C@@H]1C=C[C@H]2[C@H](C[C@@H]1N2C(=O)OC)C(=O)ON3C=CC=CC3=S)OC

DOS

IR

Vibrations