Geometry & MOs

Info

ID:	131624
PubChem CID:	51236234
Reduced:	OSN2C9H13 (2)
Stoich.:	ABC2D9E13 (2)
Weight, g/mol:	338.075885
ΔH_f, kcal/mol:	-33.87
Dipole, Da:	4.31
IP(EA), eV:	-8.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=O)C(C)SC1=NN=C(S1)NC2=CC(=CC=C2)OC

DOS

IR

Vibrations