Geometry & MOs

Info

ID:	209064
PubChem CID:	80618971
Reduced:	ClSN4C10H13 (1)
Stoich.:	ABC4D10E13 (1)
Weight, g/mol:	311.177982
ΔH_f, kcal/mol:	62.69
Dipole, Da:	3.98
IP(EA), eV:	-9.18(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylpiperidin-4-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)C2=NN=C(S2)CCl)C

DOS

IR

Vibrations