Geometry & MOs

Info

ID:

146317

PubChem CID:

53669484

Reduced:

FN4O4C34H39 (1)

Stoich.:

AB4C4D34E39 (1)

Weight, g/mol:

371.282429

ΔHf, kcal/mol:

-145.75

Dipole, Da:

3.55

IP(EA), eV:

 -9.02(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3aS,3bS,9aR,9bS,11aR)-5,9a,11a-trimethyl-2-(3-methylbut-2-enoxy)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridin-7-one

Drug info:

PubChemData

Smile

CC(C)(CCCC[C@@H]([C@@](CC1=CC=CC=C1)(C(=O)NCC2=CC=CC=C2OC)NC(=O)C3=NC4=CC=CC=C4N=C3)O)F

DOS

IR

Vibrations