Geometry & MOs

Info

ID:	56242
PubChem CID:	17422797
Reduced:	ClSO3N4H23C24 (1)
Stoich.:	ABC3D4E23F24 (1)
Weight, g/mol:	319.084458
ΔH_f, kcal/mol:	-2.68
Dipole, Da:	4.9
IP(EA), eV:	-8.86(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(5-phenyl-1,2-oxazol-3-yl)methoxy]chromen-2-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)CSC3=NN=C(N3C4CC4)COC5=CC=CC=C5Cl

DOS

IR

Vibrations