Geometry & MOs

Info

ID:	393992
PubChem CID:	135022135
Reduced:	OS2H22C23 (1)
Stoich.:	AB2C22D23 (1)
Weight, g/mol:	244.048407
ΔH_f, kcal/mol:	35.07
Dipole, Da:	2.88
IP(EA), eV:	-8.12(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(5-oxo-4H-1,2-oxazol-3-yl)phenyl]-4H-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC(=CC2=CC=C(C=C2)OC)SC3=CC=C(C=C3)C

DOS

IR

Vibrations