Geometry & MOs

Info

ID:

312111

PubChem CID:

126603285

Reduced:

N2O5C21H22 (1)

Stoich.:

A2B5C21D22 (1)

Weight, g/mol:

572.228242

ΔHf, kcal/mol:

-27.55

Dipole, Da:

4.94

IP(EA), eV:

 -9.47(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6aR,7aS,8S,11aR)-8-(dimethylamino)-5-fluoro-11,11a,13,14-tetrahydroxy-3-(2-methylpropylamino)-2,9,12-trioxo-1,3,4,6,6a,7,7a,8-octahydroanthra[2,3-g]quinoline-10-carboxamide

Drug info:

PubChemData

Smile

CCN(C)[C@H]1C2CC=CC(=O)[C@@]2(C(=O)C3=C1ON=C3OCC4=CC=CC=C4)O

DOS

IR

Vibrations