Geometry & MOs

Info

ID:	233317
PubChem CID:	89649994
Reduced:	OSCl2N2F6H6C10 (1)
Stoich.:	ABC2D2E6F6G10 (1)
Weight, g/mol:	338.164185
ΔH_f, kcal/mol:	-315.85
Dipole, Da:	4.55
IP(EA), eV:	-9.19(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1S(=O)CC(F)(F)F)Cl)Cl)N=C(C(F)(F)F)N

DOS

IR

Vibrations