Geometry & MOs

Info

ID:	68254
PubChem CID:	46508056
Reduced:	SF3O3N5C17H18 (1)
Stoich.:	AB3C3D5E17F18 (1)
Weight, g/mol:	424.214427
ΔH_f, kcal/mol:	-225.08
Dipole, Da:	5.1
IP(EA), eV:	-9.19(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

CCCN1C(=O)NN=C1SCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C(F)(F)F

DOS

IR

Vibrations