Geometry & MOs

Info

ID:	265415
PubChem CID:	103520206
Reduced:	NO2S2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	283.9619
ΔH_f, kcal/mol:	-12.69
Dipole, Da:	3.85
IP(EA), eV:	-8.8(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromopyridin-2-yl)methylsulfanyl]-4-methyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=COC(=N1)SCC(=O)C2=CC=CS2

DOS

IR

Vibrations