Geometry & MOs

Info

ID:

218775

PubChem CID:

85089953

Reduced:

N5O8C21H26 (1)

Stoich.:

A5B8C21D26 (1)

Weight, g/mol:

507.140843

ΔHf, kcal/mol:

-278.23

Dipole, Da:

4.83

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.968674

Charge, e:

 0

Chem-info

IUPAC name:

8-chloro-7-(dimethylamino)-6,10,12a-trihydroxy-6-methyl-9-(methylamino)-1,3,11,12-tetraoxo-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(O1)N2C=NC3C2NC(=O)NC3[N+]4=CC=CC=C4)OC(=O)C)OC(=O)C

DOS

IR

Vibrations