Geometry & MOs

Info

ID:	137945
PubChem CID:	52289162
Reduced:	FSO2N4C20H25 (1)
Stoich.:	ABC2D4E20F25 (1)
Weight, g/mol:	469.173251
ΔH_f, kcal/mol:	-95.5
Dipole, Da:	3.65
IP(EA), eV:	-8.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-nitro-N-propan-2-yl-4-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-4-ium-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)F)CC3CC(=O)N4C=CSC4N3

DOS

IR

Vibrations