Geometry & MOs

Info

ID:	36403
PubChem CID:	8005746
Reduced:	S2N3O3H17C19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-9.21
Dipole, Da:	3.78
IP(EA), eV:	-9.23(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations