Geometry & MOs

Info

ID:	155030
PubChem CID:	56314647
Reduced:	F2S2O3N4C22H22 (1)
Stoich.:	A2B2C3D4E22F22 (1)
Weight, g/mol:	439.07292
ΔH_f, kcal/mol:	-133.65
Dipole, Da:	3.84
IP(EA), eV:	-9.31(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=C(C=C(C=C2)F)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

DOS

IR

Vibrations