Geometry & MOs

Info

ID:	277504
PubChem CID:	103829048
Reduced:	SN2O2C10H24 (1)
Stoich.:	AB2C2D10E24 (1)
Weight, g/mol:	365.02089
ΔH_f, kcal/mol:	-124.0
Dipole, Da:	4.75
IP(EA), eV:	-9.33(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CCS(=O)(=O)NCC(C)(C)N

DOS

IR

Vibrations