Geometry & MOs

Info

ID:	26958
PubChem CID:	805402
Reduced:	ClNO3H14C19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	317.085207
ΔH_f, kcal/mol:	-15.83
Dipole, Da:	2.36
IP(EA), eV:	-9.03(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-2-(4-fluorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

C#CCN1C2=CC=CC=C2[C@@](C1=O)(CC(=O)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations