Geometry & MOs

Info

ID:	216285
PubChem CID:	85085988
Reduced:	NSO3C11H23 (1)
Stoich.:	ABC3D11E23 (1)
Weight, g/mol:	249.118735
ΔH_f, kcal/mol:	-167.65
Dipole, Da:	4.54
IP(EA), eV:	-8.79(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CCC(C)OC(=O)C(C(CCSCC)N)O

DOS

IR

Vibrations