Geometry & MOs

Info

ID:

381608

PubChem CID:

134972397

Reduced:

N2O12C47H48 (1)

Stoich.:

A2B12C47D48 (1)

Weight, g/mol:

830.305075

ΔHf, kcal/mol:

-428.36

Dipole, Da:

9.26

IP(EA), eV:

 -7.08(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(4-aminocyclohexanecarbonyl)oxy-1,5-bis(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)pentyl] 4-aminocyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)OC(CCCC(C2=CC(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)OC(=O)C5CCC(CC5)[NH3+])C6=CC(=C7C(=C6O)C(=O)C8=CC=CC=C8C7=O)O)[NH3+]

DOS

IR

Vibrations