Geometry & MOs

Info

ID:	249466
PubChem CID:	103089685
Reduced:	NOS2C13H23 (1)
Stoich.:	ABC2D13E23 (1)
Weight, g/mol:	417.93205
ΔH_f, kcal/mol:	-60.49
Dipole, Da:	3.85
IP(EA), eV:	-8.7(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromoethyl)-4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CC(CCCSC)O

DOS

IR

Vibrations