Geometry & MOs

Info

ID:	155029
PubChem CID:	56314646
Reduced:	FSO2N5H18C22 (1)
Stoich.:	ABC2D5E18F22 (1)
Weight, g/mol:	492.110139
ΔH_f, kcal/mol:	-0.23
Dipole, Da:	9.47
IP(EA), eV:	-8.24(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=C(C=C(C=C2)F)NC(=O)CN3C(=O)C=CC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations