Geometry & MOs

Info

ID:	63507
PubChem CID:	26758513
Reduced:	NSF2O5C15H17 (1)
Stoich.:	ABC2D5E15F17 (1)
Weight, g/mol:	438.106099
ΔH_f, kcal/mol:	-288.02
Dipole, Da:	6.08
IP(EA), eV:	-9.92(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations