Geometry & MOs

Info

ID:	122660
PubChem CID:	50816353
Reduced:	SO3N4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	390.152575
ΔH_f, kcal/mol:	-51.41
Dipole, Da:	4.06
IP(EA), eV:	-8.55(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations