Geometry & MOs

Info

ID:	393645
PubChem CID:	135021368
Reduced:	NCl2S2O4C27H29 (1)
Stoich.:	AB2C2D4E27F29 (1)
Weight, g/mol:	216.078644
ΔH_f, kcal/mol:	-98.6
Dipole, Da:	3.46
IP(EA), eV:	-8.17(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-methylspiro[3H-indene-2,3'-oxolane]-1,2'-dione

Drug info:

PubChemData

Smile

CC(C)(C)[S@](=O)N[C@@](CS(=O)(=O)C1=CC=CC=C1)(/C=C/C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)OC

DOS

IR

Vibrations