Geometry & MOs

Info

ID:

219148

PubChem CID:

85090949

Reduced:

ClSN4O6H23C31 (1)

Stoich.:

ABC4D6E23F31 (1)

Weight, g/mol:

621.26863

ΔHf, kcal/mol:

-79.13

Dipole, Da:

3.99

IP(EA), eV:

 -8.9(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-[N-(cyclohexylideneamino)-C-methylcarbonimidoyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)C(=O)N2C5=CC=C(C=C5)C(=O)NNC(=O)CCl

DOS

IR

Vibrations