Geometry & MOs

Info

ID:	268028
PubChem CID:	103596986
Reduced:	ClFN3H15C17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	471.054519
ΔH_f, kcal/mol:	15.08
Dipole, Da:	6.27
IP(EA), eV:	-8.18(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[2-[(4-fluorophenyl)methylsulfanyl]pyridin-4-yl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=C(C=C2)C3=NC4=C(N3)C=C(C=C4)Cl)F

DOS

IR

Vibrations