Geometry & MOs

Info

ID:

52770

PubChem CID:

12015923

Reduced:

NO10C17H25 (1)

Stoich.:

AB10C17D25 (1)

Weight, g/mol:

578.170746

ΔHf, kcal/mol:

-462.37

Dipole, Da:

3.63

IP(EA), eV:

 -9.79(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (5R,6R)-9-chloro-5-hydroxy-1,8,11,12-tetramethoxy-3-methyl-6-phenylmethoxy-5,6-dihydrobenzo[a]anthracene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@H]([C@H]([C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC)OC(=O)C

DOS

IR

Vibrations