Geometry & MOs

Info

ID:	39877
PubChem CID:	8142664
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	419.167891
ΔH_f, kcal/mol:	-98.23
Dipole, Da:	4.0
IP(EA), eV:	-8.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

DOS

IR

Vibrations