Geometry & MOs

Info

ID:

234350

PubChem CID:

92298240

Reduced:

O5C41H42 (1)

Stoich.:

A5B41C42 (1)

Weight, g/mol:

614.303224

ΔHf, kcal/mol:

-140.69

Dipole, Da:

4.26

IP(EA), eV:

 -8.74(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(6R,8aR,10aR)-8a-(4-benzoyloxy-2-hydroxyphenyl)-4',6-dimethylspiro[5,6,7,8,9,10a-hexahydroanthracene-10,1'-cyclohexane]-2-yl] benzoate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@]2(CC3=C(C=CC(=C3)OC(=O)C4=CC=CC=C4)C5([C@H]2C1)CCC(CC5)C)C6=C(C=C(C=C6)OC(=O)C7=CC=CC=C7)O

DOS

IR

Vibrations