Geometry & MOs

Info

ID:

10293

PubChem CID:

99878

Reduced:

ClS2N3O5C18H20 (1)

Stoich.:

AB2C3D5E18F20 (1)

Weight, g/mol:

457.053291

ΔHf, kcal/mol:

-146.43

Dipole, Da:

3.38

IP(EA), eV:

 -8.94(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-3-hydroxy-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione

Drug info:

PubChemData

Smile

CC12C(=O)N3C4C(CC3(C(=O)N1C)SS2)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O

DOS

IR

Vibrations