Geometry & MOs

Info

ID:

7655

PubChem CID:

73660

Reduced:

N4O8C25H30 (1)

Stoich.:

A4B8C25D30 (1)

Weight, g/mol:

514.206364

ΔHf, kcal/mol:

-292.42

Dipole, Da:

3.11

IP(EA), eV:

 -8.58(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=C(C2=C(C[C@H]3C[C@H]4[C@@H](C(=O)C(=C(N)O)C(=O)[C@]4(C(=O)C3=C2O)O)N(C)C)C=C1)O

DOS

IR

Vibrations