Geometry & MOs

Info

ID:	335460
PubChem CID:	127254322
Reduced:	N4O5H14C16 (1)
Stoich.:	A4B5C14D16 (1)
Weight, g/mol:	582.091326
ΔH_f, kcal/mol:	-60.66
Dipole, Da:	8.16
IP(EA), eV:	-9.46(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-2'-(2,4-dichlorobenzoyl)-1'-(2-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

COC1=COC(=CC1=O)C(=O)NC2=NNC(=N2)COC3=CC=CC=C3

DOS

IR

Vibrations