Geometry & MOs

Info

ID:	134258
PubChem CID:	51670291
Reduced:	ClOF3N3C22H25 (1)
Stoich.:	ABC3D3E22F25 (1)
Weight, g/mol:	272.052744
ΔH_f, kcal/mol:	-170.22
Dipole, Da:	3.96
IP(EA), eV:	-8.66(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-thiolate

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CN[C@@H](C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations