Geometry & MOs

Info

ID:	335581
PubChem CID:	127254443
Reduced:	SN2O3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	589.165601
ΔH_f, kcal/mol:	-84.69
Dipole, Da:	5.94
IP(EA), eV:	-8.73(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-7-chloro-2-(3,4-dimethoxyphenyl)-1-(4-methylbenzoyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)N2CCSCC2

DOS

IR

Vibrations