Geometry & MOs

Info

ID:

410102

PubChem CID:

135082891

Reduced:

O2C5H5 (4)

Stoich.:

A2B5C5 (4)

Weight, g/mol:

764.28915

ΔHf, kcal/mol:

-302.97

Dipole, Da:

4.65

IP(EA), eV:

 -9.37(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4aR,12bS)-9-[(2S,3S,4S,5R,6R)-4-[(2S,5S,6S)-5-[(2S,3R,5S,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]-3,4a,8,10,12b-pentahydroxy-3-methyl-2,4,6a,12a-tetrahydrobenzo[a]anthracene-1,7,12-trione

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=CC=C3O

DOS

IR

Vibrations