Geometry & MOs

Info

ID:	160958
PubChem CID:	57390362
Reduced:	SN3O5C17H17 (1)
Stoich.:	AB3C5D17E17 (1)
Weight, g/mol:	412.005133
ΔH_f, kcal/mol:	-52.73
Dipole, Da:	10.29
IP(EA), eV:	-9.06(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)sulfonylpropan-2-ol

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C2=NN(C(O2)C3=CC=C(S3)[N+](=O)[O-])C(=O)C

DOS

IR

Vibrations