Geometry & MOs

Info

ID:

81824

PubChem CID:

49855214

Reduced:

SN2O8H14C18 (1)

Stoich.:

AB2C8D14E18 (1)

Weight, g/mol:

460.14818

ΔHf, kcal/mol:

-171.68

Dipole, Da:

10.57

IP(EA), eV:

 -8.72(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,4S,4aS,5S,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=C2O)OCC(=O)O)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations