Geometry & MOs

Info

ID:	367634
PubChem CID:	127325124
Reduced:	SO3N5C18H29 (1)
Stoich.:	AB3C5D18E29 (1)
Weight, g/mol:	344.188212
ΔH_f, kcal/mol:	-99.5
Dipole, Da:	3.14
IP(EA), eV:	-8.83(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCN(CC1)S(=O)(=O)N2CCN(CC2)C)C3=CN=CC=C3

DOS

IR

Vibrations