Geometry & MOs

Info

ID:

59739

PubChem CID:

24895277

Reduced:

N3O7C24H27 (1)

Stoich.:

A3B7C24D27 (1)

Weight, g/mol:

555.20055

ΔHf, kcal/mol:

-267.43

Dipole, Da:

8.73

IP(EA), eV:

 -8.32(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,6aR,7aS,8S,10Z,11aS)-10-[amino(hydroxy)methylidene]-8-(dimethylamino)-11a,13,14-trihydroxy-6-(4-methylphenyl)-6a,7,7a,8-tetrahydro-6H-anthra[6,7-g]quinoline-9,11,12-trione

Drug info:

PubChemData

Smile

CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=CC5=C(CCCN5)C(=C4C(=C3C(=O)[C@@]2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O

DOS

IR

Vibrations