Geometry & MOs

Info

ID:

128180

PubChem CID:

51034032

Reduced:

O4N6H20C23 (1)

Stoich.:

A4B6C20D23 (1)

Weight, g/mol:

640.235613

ΔHf, kcal/mol:

-42.32

Dipole, Da:

2.97

IP(EA), eV:

 -8.6(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(5aR,6aS,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-4-(trifluoromethoxy)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-2-(pentylamino)acetamide

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)NC2CCOC2=O)C(=O)NC3=CC4=NC(=CN4C=C3)C5=CC=CC=C5

DOS

IR

Vibrations