Geometry & MOs

Info

ID:

128182

PubChem CID:

51034034

Reduced:

F3N4O9C28H31 (1)

Stoich.:

A3B4C9D28E31 (1)

Weight, g/mol:

612.204313

ΔHf, kcal/mol:

-479.15

Dipole, Da:

5.5

IP(EA), eV:

 -8.8(-1.2)

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-[ethyl(methyl)amino]acetamide

Drug info:

PubChemData

Smile

CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=C(C(=C4C(=C3C(=O)[C@@]2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O)NC(=O)CNCC5CC5)OC(F)(F)F

DOS

IR

Vibrations