Geometry & MOs

Info

ID:	139794
PubChem CID:	52596383
Reduced:	SN2O2C10H10 (2)
Stoich.:	AB2C2D10E10 (2)
Weight, g/mol:	424.136925
ΔH_f, kcal/mol:	-88.39
Dipole, Da:	7.36
IP(EA), eV:	-8.73(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)NC(=O)C3=CC=CS3

DOS

IR

Vibrations