Geometry & MOs

Info

ID:	145384
PubChem CID:	53515090
Reduced:	SN2O3F4H14C17 (1)
Stoich.:	AB2C3D4E14F17 (1)
Weight, g/mol:	335.203134
ΔH_f, kcal/mol:	-277.69
Dipole, Da:	5.03
IP(EA), eV:	-9.51(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylphenyl)methylsulfanyl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

C1[C@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)F)C(F)(F)F)C(=O)N

DOS

IR

Vibrations