Geometry & MOs

Info

ID:

82504

PubChem CID:

49856111

Reduced:

NO6C38H41 (1)

Stoich.:

AB6C38D41 (1)

Weight, g/mol:

809.33224

ΔHf, kcal/mol:

-144.12

Dipole, Da:

2.24

IP(EA), eV:

 -7.76(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,4R,6R)-6-[6-bromo-9,10-dimethoxy-5-(methoxymethoxy)-7-methyl-4-tri(propan-2-yl)silyloxyanthracen-1-yl]-N,N,2-trimethyl-3-phenylmethoxyoxan-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=C3C(=C(C=C2)O)C(=C4C(=CC(=CC4=C3OC)C)OCC5=CC=CC=C5)OC)NC)OCC6=CC=CC=C6

DOS

IR

Vibrations