Geometry & MOs

Info

ID:	267627
PubChem CID:	103583039
Reduced:	BrClN2O2C15H16 (1)
Stoich.:	ABC2D2E15F16 (1)
Weight, g/mol:	363.92482
ΔH_f, kcal/mol:	-37.22
Dipole, Da:	2.9
IP(EA), eV:	-8.44(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[2-(difluoromethylsulfanyl)phenyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations