Geometry & MOs

Info

ID:

408043

PubChem CID:

135080798

Reduced:

Cl2S2N4O12C52H63 (2)

Stoich.:

A2B2C4D12E52F63 (2)

Weight, g/mol:

1857.46472

ΔHf, kcal/mol:

-665.46

Dipole, Da:

21.54

IP(EA), eV:

 -7.72(-2.64)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C(=C(C2=C1C3=NC4=NC(=NC5=C6C(=C(N5)N=C7C8=C(C(=C(C(=C8OCCCCCC)Cl)OC9=CC=C(C=C9)S(=O)(=O)O)OCCCCCC)C(=N7)N=C2N3)C(=C(C(=C6OCCCCCC)Cl)OC1=CC=C(C=C1)S(=O)(=O)O)OCCCCCC)C1=C4C(=C(C(=C1OCCCCCC)OC1=CC=C(C=C1)S(=O)(=O)O)Cl)OCCCCCC)OCCCCCC)Cl)OC1=CC=C(C=C1)S(=O)(=O)O

DOS

IR

Vibrations