Geometry & MOs

Info

ID:

82503

PubChem CID:

49856110

Reduced:

NO8C43H49 (1)

Stoich.:

AB8C43D49 (1)

Weight, g/mol:

607.293388

ΔHf, kcal/mol:

-228.69

Dipole, Da:

4.8

IP(EA), eV:

 -8.46(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,10-dimethoxy-6-methyl-4-[(2R,4R,5S,6R)-6-methyl-4-(methylamino)-5-phenylmethoxyoxan-2-yl]-8-phenylmethoxyanthracen-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](C[C@@H](O1)[C@@]23C=C[C@@H](O2)C4=C(C5=C(C=C(C=C5OCC6=CC=CC=C6)C)C(=C34)OC)OC)N(C)C(=O)OC(C)(C)C)OCC7=CC=CC=C7

DOS

IR

Vibrations