Geometry & MOs

Info

ID:	267615
PubChem CID:	103582995
Reduced:	ClBr2N4H5C8 (1)
Stoich.:	AB2C4D5E8 (1)
Weight, g/mol:	354.91817
ΔH_f, kcal/mol:	87.38
Dipole, Da:	1.39
IP(EA), eV:	-8.71(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-3-chloropyridin-2-yl)sulfanyl-1,3-benzoxazol-5-amine

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)N2C=C(C(=N2)N)Br)Br

DOS

IR

Vibrations