Geometry & MOs

Info

ID:	45358
PubChem CID:	10511902
Reduced:	ClN2H7C10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	189.996762
ΔH_f, kcal/mol:	72.39
Dipole, Da:	5.44
IP(EA), eV:	-9.98(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-3-(1,2,5-thiadiazol-3-yl)butan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NN=C2)Cl

DOS

IR

Vibrations