Geometry & MOs

Info

ID:	381239
PubChem CID:	134971907
Reduced:	NS2O5C18H31 (1)
Stoich.:	AB2C5D18E31 (1)
Weight, g/mol:	282.087866
ΔH_f, kcal/mol:	-219.97
Dipole, Da:	4.0
IP(EA), eV:	-8.5(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-ethoxy-2-(2-phenyl-1,3-oxazol-4-yl)-1,3-oxazol-3-ium-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)[C@H](/C=C/[C@@H]1CSC(N1C)(C)C)[C@@H](/C=C/C(=O)OC)OS(=O)(=O)C

DOS

IR

Vibrations