Geometry & MOs

Info

ID:	263273
PubChem CID:	103351070
Reduced:	BrSN2O3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	326.94841
ΔH_f, kcal/mol:	-10.4
Dipole, Da:	5.5
IP(EA), eV:	-8.38(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-[(4-chlorophenyl)sulfanylmethyl]aniline

Drug info:

PubChemData

Smile

C1CS(=O)CCC1NCC2=CC(=CC(=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations