Geometry & MOs

Info

ID:	359949
PubChem CID:	127300083
Reduced:	NSO3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	373.203528
ΔH_f, kcal/mol:	-127.92
Dipole, Da:	6.15
IP(EA), eV:	-9.45(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-ylmethylsulfonyl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(CCC1CNS(=O)(=O)CC2CCOC2)C3=CC=CC=C3

DOS

IR

Vibrations