Geometry & MOs

Info

ID:	64563
PubChem CID:	29202891
Reduced:	SN3O4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	384.130777
ΔH_f, kcal/mol:	-105.99
Dipole, Da:	3.51
IP(EA), eV:	-9.03(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-ethoxyphenyl)piperazin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC

DOS

IR

Vibrations