Geometry & MOs

Info

ID:	306820
PubChem CID:	125258678
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	-60.74
Dipole, Da:	6.94
IP(EA), eV:	-9.27(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-1-benzyl-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC[C@H]2[C@@H]1CCN2CC3=CC=CC=C3

DOS

IR

Vibrations