Geometry & MOs

Info

ID:	344802
PubChem CID:	127268440
Reduced:	NS2O4C15H15 (1)
Stoich.:	AB2C4D15E15 (1)
Weight, g/mol:	375.182792
ΔH_f, kcal/mol:	-96.83
Dipole, Da:	5.33
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-1-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC=C2)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations