Geometry & MOs

Info

ID:	202531
PubChem CID:	79682762
Reduced:	SO2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	246.103814
ΔH_f, kcal/mol:	-119.14
Dipole, Da:	3.8
IP(EA), eV:	-8.91(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propane-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CSCC(CO)O)C)C(C)(C)C

DOS

IR

Vibrations