Geometry & MOs

Info

ID:	153050
PubChem CID:	56312171
Reduced:	SO2N3C25H31 (1)
Stoich.:	AB2C3D25E31 (1)
Weight, g/mol:	409.157246
ΔH_f, kcal/mol:	-58.51
Dipole, Da:	2.87
IP(EA), eV:	-8.74(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations