Geometry & MOs

Info

ID:	444696
PubChem CID:	135263277
Reduced:	NSO5C12H13 (1)
Stoich.:	ABC5D12E13 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-148.74
Dipole, Da:	3.99
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethenylphenyl)-5,5-dimethyl-1,4,2-dioxazole

Drug info:

PubChemData

Smile

COC(=O)C1(CC1)C2=CC3=C(C=C2)NS(=O)(=O)CO3

DOS

IR

Vibrations