Geometry & MOs

Info

ID:

311841

PubChem CID:

126598207

Reduced:

N4O7C28H36 (1)

Stoich.:

A4B7C28D36 (1)

Weight, g/mol:

562.231516

ΔHf, kcal/mol:

-271.55

Dipole, Da:

5.63

IP(EA), eV:

 -8.96(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aS,12aR)-1,10,11,12a-tetrahydroxy-7-methoxy-8-[[(2-methyl-2-phenylpropyl)amino]methyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=C2CC3C[C@H]4CC(=O)C(=C([C@]4(C(=O)C3=C(C2=C(C=C1CNCCN5CCCC5)O)O)O)O)C(=O)N

DOS

IR

Vibrations