Geometry & MOs

Info

ID:	154839
PubChem CID:	56314379
Reduced:	OSF3N5C17H22 (1)
Stoich.:	ABC3D5E17F22 (1)
Weight, g/mol:	489.08507
ΔH_f, kcal/mol:	-145.04
Dipole, Da:	3.56
IP(EA), eV:	-8.67(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-2-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N2CCCN(CC2)C(=O)C3=C(N(N=C3)C(C)C)C(F)(F)F

DOS

IR

Vibrations