Geometry & MOs

Info

ID:	10038
PubChem CID:	96542
Reduced:	NOSC5H9 (1)
Stoich.:	ABCD5E9 (1)
Weight, g/mol:	131.040485
ΔH_f, kcal/mol:	-38.02
Dipole, Da:	2.19
IP(EA), eV:	-9.32(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-4H-1,3-oxazole-2-thiol

Drug info:

PubChemData

Smile

CC1(CN=C(O1)S)C

DOS

IR

Vibrations