Geometry & MOs

Info

ID:	263214
PubChem CID:	103346479
Reduced:	NS2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	250.000133
ΔH_f, kcal/mol:	-14.44
Dipole, Da:	1.01
IP(EA), eV:	-8.38(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCNC(C1CSC(C(S1)C)C)C2=CC=CC=C2C

DOS

IR

Vibrations