Geometry & MOs

Info

ID:	168340
PubChem CID:	74954047
Reduced:	OSN3F4H13C17 (1)
Stoich.:	ABC3D4E13F17 (1)
Weight, g/mol:	565.137295
ΔH_f, kcal/mol:	-169.44
Dipole, Da:	7.74
IP(EA), eV:	-8.76(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[5-(3-chlorophenyl)-2-[ethyl(methyl)amino]-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide

Drug info:

PubChemData

Smile

C1CSC2=C(C1=NNC(=O)NC3=CC=C(C=C3)C(F)(F)F)C=C(C=C2)F

DOS

IR

Vibrations