Geometry & MOs

Info

ID:	124224
PubChem CID:	50875353
Reduced:	BrFON2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	439.196334
ΔH_f, kcal/mol:	-71.11
Dipole, Da:	5.97
IP(EA), eV:	-8.84(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyclohexylsulfanylpropyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)C(=O)NC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations