Geometry & MOs

Info

ID:	370351
PubChem CID:	127338190
Reduced:	O3N7C18H29 (1)
Stoich.:	A3B7C18D29 (1)
Weight, g/mol:	389.17329
ΔH_f, kcal/mol:	-105.85
Dipole, Da:	9.79
IP(EA), eV:	-9.59(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-methylsulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)NCCC(=O)N3CCN(CC3)C(=O)C

DOS

IR

Vibrations