Geometry & MOs

Info

ID:

307068

PubChem CID:

125267455

Reduced:

IO3C26H33 (1)

Stoich.:

AB3C26D33 (1)

Weight, g/mol:

511.366159

ΔHf, kcal/mol:

-126.55

Dipole, Da:

3.24

IP(EA), eV:

 -9.65(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-aminoethyl (2R,4aR,6aR,6aS,6bS,8aS,10S,12aR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-4-oxo-3,5,6,6a,7,8,8a,10,11,12-decahydro-1H-picene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H](C[C@@H]1CC[C@H]3[C@H]2CC[C@@]4([C@@H]3CCC4=O)C)OC(=O)C5=CC(=CC=C5)I

DOS

IR

Vibrations