Geometry & MOs

Info

ID:	34173
PubChem CID:	7890166
Reduced:	F2N3O4H13C15 (1)
Stoich.:	A2B3C4D13E15 (1)
Weight, g/mol:	418.119858
ΔH_f, kcal/mol:	-147.17
Dipole, Da:	6.0
IP(EA), eV:	-9.97(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-hydroxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C(C=C1)F)F)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations