Geometry & MOs

Info

ID:	204500
PubChem CID:	79973233
Reduced:	OS3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	279.050004
ΔH_f, kcal/mol:	-28.4
Dipole, Da:	1.81
IP(EA), eV:	-8.77(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]aniline

Drug info:

PubChemData

Smile

C1CSC(CS1)C(CC2=CC=CS2)O

DOS

IR

Vibrations