Geometry & MOs

Info

ID:	265418
PubChem CID:	103520216
Reduced:	BrClNOSH9C11 (1)
Stoich.:	ABCDEF9G11 (1)
Weight, g/mol:	300.95723
ΔH_f, kcal/mol:	7.22
Dipole, Da:	1.85
IP(EA), eV:	-8.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4-methyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=COC(=N1)SCC2=C(C=C(C=C2)Br)Cl

DOS

IR

Vibrations