Geometry & MOs

Info

ID:	138821
PubChem CID:	52431151
Reduced:	SO3N7C20H25 (1)
Stoich.:	AB3C7D20E25 (1)
Weight, g/mol:	377.095133
ΔH_f, kcal/mol:	-15.91
Dipole, Da:	7.88
IP(EA), eV:	-9.0(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-chloro-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-piperidin-1-ium-1-ylacetamide

Drug info:

PubChemData

Smile

CCC1=NN=C2N1N=C(S2)C3=CC(=C(C=C3)OC)NC(=O)CN4CCN(CC4)C(=O)C

DOS

IR

Vibrations