Geometry & MOs

Info

ID:	359177
PubChem CID:	127297594
Reduced:	BrNSO4C15H20 (1)
Stoich.:	ABCD4E15F20 (1)
Weight, g/mol:	368.156992
ΔH_f, kcal/mol:	-145.68
Dipole, Da:	6.07
IP(EA), eV:	-8.98(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclohexylsulfonylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)S(=O)(=O)NCC2=CC3=C(C(=C2)Br)OCCO3

DOS

IR

Vibrations