Geometry & MOs

Info

ID:	196187
PubChem CID:	78793728
Reduced:	SO3N5C14H17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-32.21
Dipole, Da:	5.66
IP(EA), eV:	-10.46(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NS(=O)(=O)C2=CC=CC(=C2)N3C=NN=N3

DOS

IR

Vibrations