Geometry & MOs

Info

ID:	365824
PubChem CID:	127318698
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	342.12628
ΔH_f, kcal/mol:	-59.73
Dipole, Da:	4.94
IP(EA), eV:	-9.35(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCCC1C2=CNN=C2)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations