Geometry & MOs

Info

ID:	131625
PubChem CID:	51236696
Reduced:	N2S2O3C15H18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	352.091535
ΔH_f, kcal/mol:	-70.55
Dipole, Da:	7.64
IP(EA), eV:	-9.33(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[(3,5-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]thiolane 1,1-dioxide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSC2=NN=C(O2)CC3CCS(=O)(=O)C3

DOS

IR

Vibrations