Geometry & MOs

Info

ID:	149031
PubChem CID:	53788702
Reduced:	OC17H31 (2)
Stoich.:	AB17C31 (2)
Weight, g/mol:	165.024835
ΔH_f, kcal/mol:	-171.83
Dipole, Da:	3.23
IP(EA), eV:	-9.42(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-1,3,2-oxathiazole

Drug info:

PubChemData

Smile

CCCCCCC=CCCCCCCCCC(C=O)C(=O)CCCCCCCC=CCCCCCC

DOS

IR

Vibrations