Geometry & MOs

Info

ID:

223329

PubChem CID:

85334869

Reduced:

O2N14C95H170 (1)

Stoich.:

A2B14C95D170 (1)

Weight, g/mol:

1851.585836

ΔHf, kcal/mol:

-171.46

Dipole, Da:

8.42

IP(EA), eV:

 -7.89(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dodecasodium;[2-[6-[bis(4,5,6-trisulfonatooxycyclohex-2-en-1-yl)amino]hexyl-(4,5,6-trisulfonatooxycyclohex-2-en-1-yl)amino]-5,6-disulfonatooxycyclohex-3-en-1-yl] sulfate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC1CCN(CCCN(CCCN(CCCCN1C)C)C)CCNC(=O)CCC2=C(C(=NC2)C=C3C(=C(C(=CC4=C(C(=C(N4)C=C5C(=C(C=N5)CCC(=O)NCCN6CCCN(CCCN(CCCCN(C(CC6)CCCCCCCCCCCCC)C)C)C)C)C)CC)N3)C)CC)C

DOS

IR

Vibrations