Geometry & MOs

Info

ID:	133584
PubChem CID:	51557959
Reduced:	BrSN3C6H14 (1)
Stoich.:	ABC3D6E14 (1)
Weight, g/mol:	379.182181
ΔH_f, kcal/mol:	-4.87
Dipole, Da:	3.84
IP(EA), eV:	-8.99(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[[[4-(4-fluorophenoxy)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

C1[C@@H](SC(=[NH+]1)NCC[NH3+])CBr

DOS

IR

Vibrations