Geometry & MOs

Info

ID:	335967
PubChem CID:	127254974
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	559.155036
ΔH_f, kcal/mol:	-92.14
Dipole, Da:	9.51
IP(EA), eV:	-8.33(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)NC(=O)CCCCCN3C=CC=C3

DOS

IR

Vibrations