Geometry & MOs

Info

ID:	272859
PubChem CID:	103762412
Reduced:	NSO3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	298.017891
ΔH_f, kcal/mol:	-122.51
Dipole, Da:	3.49
IP(EA), eV:	-8.45(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-3-nitrophenyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)SCC(COC(C)C)O)C

DOS

IR

Vibrations