Geometry & MOs

Info

ID:	395726
PubChem CID:	135026358
Reduced:	SO3N4C26H26 (1)
Stoich.:	AB3C4D26E26 (1)
Weight, g/mol:	493.276299
ΔH_f, kcal/mol:	40.66
Dipole, Da:	8.7
IP(EA), eV:	-8.1(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3aS,4R,9bS)-1-(benzylcarbamothioyl)-4-heptyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-8-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N[C@@H]([C@H]3[C@@H]2N(CC3)C(=S)NCC4=CC=CC=C4)C5=CC=CC=C5[N+](=O)[O-]

DOS

IR

Vibrations