Geometry & MOs

Info

ID:	398143
PubChem CID:	135031977
Reduced:	NOH7C13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	318.96665
ΔH_f, kcal/mol:	62.1
Dipole, Da:	0.8
IP(EA), eV:	-7.99(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromophenyl)-3-phenyl-1,4,2-oxathiazole

Drug info:

PubChemData

Smile

CN1C2=C3C4=C1C=CC5=C4C6=C(O5)C=CC7=C6C8=C(N7C)C=CC9=C8C3=C(O9)C=C2

DOS

IR

Vibrations