Geometry & MOs

Info

ID:	306855
PubChem CID:	125258842
Reduced:	ClSN2O3C15H21 (1)
Stoich.:	ABC2D3E15F21 (1)
Weight, g/mol:	313.109627
ΔH_f, kcal/mol:	-103.51
Dipole, Da:	5.1
IP(EA), eV:	-8.67(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aR,7aR)-5-cyclopropylsulfonyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCO[C@@H]2[C@H]1CN(CC2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations