Geometry & MOs

Info

ID:	366264
PubChem CID:	127319721
Reduced:	SO3N5C14H21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	391.179044
ΔH_f, kcal/mol:	-81.73
Dipole, Da:	6.62
IP(EA), eV:	-9.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3,4-thiadiazol-2-yl)-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1COCCC1C(=O)N2CCN(CC2)CC(=O)NC3=NN=CS3

DOS

IR

Vibrations