Geometry & MOs

Info

ID:	367096
PubChem CID:	127323149
Reduced:	ClN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	380.188212
ΔH_f, kcal/mol:	-100.71
Dipole, Da:	8.07
IP(EA), eV:	-8.14(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclobutylpiperazin-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)CN2CCN(CC2)C3CCC3)Cl)OC

DOS

IR

Vibrations