Geometry & MOs

Info

ID:	209058
PubChem CID:	80618739
Reduced:	ClOSN2C11H11 (1)
Stoich.:	ABCD2E11F11 (1)
Weight, g/mol:	233.953373
ΔH_f, kcal/mol:	26.34
Dipole, Da:	3.71
IP(EA), eV:	-9.57(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-5-(4-chloropyrazol-1-yl)-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1OC2=NN=C(S2)CCl

DOS

IR

Vibrations