Geometry & MOs

Info

ID:	335980
PubChem CID:	127254987
Reduced:	SO2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	562.145949
ΔH_f, kcal/mol:	16.83
Dipole, Da:	7.11
IP(EA), eV:	-8.03(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-1'-(4-chlorobenzoyl)-2'-(4-fluorobenzoyl)-7'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

CN1C=CC=C1CN2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations