Geometry & MOs

Info

ID:	209063
PubChem CID:	80618970
Reduced:	ClSN4C9H11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	256.054945
ΔH_f, kcal/mol:	67.4
Dipole, Da:	3.95
IP(EA), eV:	-9.16(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C)C2=NN=C(S2)CCl)C

DOS

IR

Vibrations