Geometry & MOs

Info

ID:	355765
PubChem CID:	127290617
Reduced:	NSO4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	378.136176
ΔH_f, kcal/mol:	-122.44
Dipole, Da:	5.44
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[[4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)NC3CC4=CC=CC=C4OC3

DOS

IR

Vibrations