Geometry & MOs

Info

ID:	400063
PubChem CID:	135044950
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	267.071785
ΔH_f, kcal/mol:	-58.11
Dipole, Da:	3.88
IP(EA), eV:	-9.15(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-3-[(E)-2-phenylethenyl]-1,4,2-oxathiazole

Drug info:

PubChemData

Smile

CCN(CC)/C=N\S(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations