Geometry & MOs

Info

ID:	302821
PubChem CID:	124396925
Reduced:	ClIO5C12H14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	464.173607
ΔH_f, kcal/mol:	-186.37
Dipole, Da:	3.65
IP(EA), eV:	-9.21(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1'S,2'R,3R,3'aR)-2'-benzoyl-2-oxospiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-1'-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CI)O)O)O)Cl

DOS

IR

Vibrations