Geometry & MOs

Info

ID:	134178
PubChem CID:	51658244
Reduced:	FSN3O4C22H22 (1)
Stoich.:	ABC3D4E22F22 (1)
Weight, g/mol:	430.113333
ΔH_f, kcal/mol:	-133.31
Dipole, Da:	2.69
IP(EA), eV:	-9.12(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NCC2=C(N=CC=C2)OC3=CC(=CC=C3)F

DOS

IR

Vibrations