Geometry & MOs

Info

ID:	355801
PubChem CID:	127290653
Reduced:	FSO2N5C14H18 (1)
Stoich.:	ABC2D5E14F18 (1)
Weight, g/mol:	342.172562
ΔH_f, kcal/mol:	-54.35
Dipole, Da:	2.22
IP(EA), eV:	-9.01(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methylimidazol-2-yl)methyl]-4-(oxan-2-ylmethylsulfonyl)piperazine

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)S(=O)(=O)C3=CN=CC(=C3)F

DOS

IR

Vibrations