Geometry & MOs

Info

ID:	142693
PubChem CID:	53077048
Reduced:	SN2O6H20C22 (1)
Stoich.:	AB2C6D20E22 (1)
Weight, g/mol:	397.073242
ΔH_f, kcal/mol:	-96.84
Dipole, Da:	7.54
IP(EA), eV:	-9.02(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=C(O3)CS(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations