Geometry & MOs

Info

ID:

177501

PubChem CID:

76194154

Reduced:

Cl2S2N6H12C17 (1)

Stoich.:

A2B2C6D12E17 (1)

Weight, g/mol:

628.334165

ΔHf, kcal/mol:

162.33

Dipole, Da:

7.12

IP(EA), eV:

 -8.52(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,21,34-trimethyl-2,18-dithia-8,12,20,24,31,35,36,37-octazatetracyclo[30.3.1.18,12.119,23]octatriaconta-1(35),19,21,23(37),32(36),33-hexaene-9,38-dione

Drug info:

PubChemData

Smile

C1CN=C(N1)NN=CC2=C(N=C3N2C4=CC=CC=C4S3)C5=C(SC(=C5)Cl)Cl

DOS

IR

Vibrations