Geometry & MOs

Info

ID:	155907
PubChem CID:	56368244
Reduced:	ClSO2N3H18C21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	457.158389
ΔH_f, kcal/mol:	-12.43
Dipole, Da:	1.63
IP(EA), eV:	-8.66(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[1-oxo-3-phenyl-1-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)SCC2=CC(=CC=C2)NC(=O)CNC(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations