Geometry & MOs

Info

ID:	38294
PubChem CID:	8029439
Reduced:	ClN2S2O5H15C16 (1)
Stoich.:	AB2C2D5E15F16 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-179.16
Dipole, Da:	6.1
IP(EA), eV:	-9.82(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,3aR,6aS)-5-tert-butyl-1,7'-dimethylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@H]1NC(=O)CN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=O

DOS

IR

Vibrations