Geometry & MOs

Info

ID:	64080
PubChem CID:	29196035
Reduced:	FSN3O5C21H26 (1)
Stoich.:	ABC3D5E21F26 (1)
Weight, g/mol:	451.15772
ΔH_f, kcal/mol:	-185.12
Dipole, Da:	6.1
IP(EA), eV:	-8.5(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations