Geometry & MOs

Info

ID:	259727
PubChem CID:	103173201
Reduced:	BrSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	354.00376
ΔH_f, kcal/mol:	-39.07
Dipole, Da:	3.5
IP(EA), eV:	-9.21(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)Br)C2=C(SC=C2C)C(=O)OC

DOS

IR

Vibrations