Geometry & MOs

Info

ID:	249386
PubChem CID:	103089109
Reduced:	FSCl2O2N4H9C10 (1)
Stoich.:	ABC2D2E4F9G10 (1)
Weight, g/mol:	355.032431
ΔH_f, kcal/mol:	-63.19
Dipole, Da:	2.07
IP(EA), eV:	-9.14(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,4-dichloro-3-fluorophenyl)sulfonyl-4-methylpiperazin-2-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1S(=O)(=O)NCC2=C(NN=C2)N)Cl)F)Cl

DOS

IR

Vibrations