Geometry & MOs

Info

ID:	207998
PubChem CID:	80478433
Reduced:	SN3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	247.022704
ΔH_f, kcal/mol:	55.79
Dipole, Da:	4.85
IP(EA), eV:	-9.17(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-difluoro-3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1CCN(C1)C(=N)C2=CN=CS2

DOS

IR

Vibrations