Geometry & MOs

Info

ID:	306819
PubChem CID:	125258677
Reduced:	SN2O4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	-139.37
Dipole, Da:	3.29
IP(EA), eV:	-8.76(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C[C@@H]3CN(CCO[C@H]3C2)S(=O)(=O)C

DOS

IR

Vibrations