Geometry & MOs

Info

ID:

379504

PubChem CID:

134437073

Reduced:

FO3N7C29H30 (1)

Stoich.:

AB3C7D29E30 (1)

Weight, g/mol:

527.361074

ΔHf, kcal/mol:

9.19

Dipole, Da:

5.5

IP(EA), eV:

 -8.47(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bS)-8a-(hydroxycarbamoyl)-4,4,6a,6b,11,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(COC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)N4CC5CC(C4)N5CC6=CC(=C(N=C6)OC)F)O

DOS

IR

Vibrations