Geometry & MOs

Info

ID:

192301

PubChem CID:

78254342

Reduced:

N3O4H10C11 (2)

Stoich.:

A3B4C10D11 (2)

Weight, g/mol:

490.13763

ΔHf, kcal/mol:

-187.44

Dipole, Da:

3.3

IP(EA), eV:

 -9.15(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(4-chlorophenyl)-3-[3-(dimethylamino)propylsulfanyl]-13-methyl-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,10(15)-trien-8-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(C(=O)N(C2=O)C3=CC(=CC=C3)N4C(=O)C5C(=C(NN5)C(=O)OCC)C4=O)NN1

DOS

IR

Vibrations