Geometry & MOs

Info

ID:

334687

PubChem CID:

127253362

Reduced:

ClN3O6C25H28 (1)

Stoich.:

AB3C6D25E28 (1)

Weight, g/mol:

724.268207

ΔHf, kcal/mol:

-161.94

Dipole, Da:

5.11

IP(EA), eV:

 -8.87(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,19,20,21,25-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-dodecaene;dihydrochloride

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCC4=NC(=NO4)C5CCCC5

DOS

IR

Vibrations