Geometry & MOs

Info

ID:

177683

PubChem CID:

76215289

Reduced:

FSN3O9C22H24 (1)

Stoich.:

ABC3D9E22F24 (1)

Weight, g/mol:

594.212592

ΔHf, kcal/mol:

-379.27

Dipole, Da:

3.26

IP(EA), eV:

 -8.85(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(dimethylamino)-9-[[4-(dimethylamino)benzoyl]amino]-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)NS(=O)(=O)C)F

DOS

IR

Vibrations