Geometry & MOs

Info

ID:	336146
PubChem CID:	127255153
Reduced:	SN3O5C14H21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	563.147506
ΔH_f, kcal/mol:	-175.92
Dipole, Da:	2.69
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=O)C(=CN2)OC

DOS

IR

Vibrations