Geometry & MOs

Info

ID:	209059
PubChem CID:	80618845
Reduced:	SCl2H4N4C6 (1)
Stoich.:	AB2C4D4E6 (1)
Weight, g/mol:	218.986925
ΔH_f, kcal/mol:	91.99
Dipole, Da:	2.85
IP(EA), eV:	-9.65(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(oxetan-3-yl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1=C(C=NN1C2=NN=C(S2)CCl)Cl

DOS

IR

Vibrations