Geometry & MOs

Info

ID:

312102

PubChem CID:

126603230

Reduced:

N2O3C25H32 (1)

Stoich.:

A2B3C25D32 (1)

Weight, g/mol:

515.170393

ΔHf, kcal/mol:

-27.73

Dipole, Da:

2.59

IP(EA), eV:

 -8.84(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2[C@@H](C3=C(C(C2(C(=C1)OC)C)C)C(=NO3)OCC4=CC=CC=C4)N5CCC5

DOS

IR

Vibrations