Geometry & MOs

Info

ID:	185077
PubChem CID:	77251542
Reduced:	ClSF2N3O3C12H16 (1)
Stoich.:	ABC2D3E3F12G16 (1)
Weight, g/mol:	403.123359
ΔH_f, kcal/mol:	-205.05
Dipole, Da:	6.54
IP(EA), eV:	-9.55(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C(F)F)C1(CCNC1)OC2=C(C=C(C=N2)S(=O)(=O)N)Cl

DOS

IR

Vibrations