Geometry & MOs

Info

ID:

320812

PubChem CID:

126663699

Reduced:

ClN4O6C32H47 (1)

Stoich.:

AB4C6D32E47 (1)

Weight, g/mol:

593.11729

ΔHf, kcal/mol:

-251.71

Dipole, Da:

4.75

IP(EA), eV:

 -8.8(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,5aR)-9-bromo-4-(dimethylamino)-7-fluoro-3,10,11-trihydroxy-8-(morpholin-4-ylmethyl)-1,12-dioxo-4,4a,5,5a,6,12a-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C)[C@@H]([C@@H]1C[C@@H]2CC3=C(C(=CC(=C3C(=O)C2=C([C@]1(C)NC)OC)O)CN4CCCC[C@@H]4C)Cl)/C(=C(\CO)/C(=O)N)/O

DOS

IR

Vibrations