Geometry & MOs

Info

ID:	336018
PubChem CID:	127255025
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	555.181251
ΔH_f, kcal/mol:	-113.96
Dipole, Da:	7.19
IP(EA), eV:	-8.67(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CSC=C3)O

DOS

IR

Vibrations