Geometry & MOs

Info

ID:	323162
PubChem CID:	126673153
Reduced:	O2N3H15C19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	403.088515
ΔH_f, kcal/mol:	43.25
Dipole, Da:	6.49
IP(EA), eV:	-8.7(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[5-(1-methylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NN3C(=NC=C3C4=CC(=CC=C4)O)C=C2

DOS

IR

Vibrations