Geometry & MOs

Info

ID:

160309

PubChem CID:

57309656

Reduced:

SO3N4C27H34 (1)

Stoich.:

AB3C4D27E34 (1)

Weight, g/mol:

404.246378

ΔHf, kcal/mol:

-36.73

Dipole, Da:

3.82

IP(EA), eV:

 -8.33(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(3aS,3bS,9aR,9bR,11aR)-5,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridin-2-yl]oxy]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C3=CC=CC=C32)OCCC4CCS(=O)C4)C5CC5

DOS

IR

Vibrations