Geometry & MOs

Info

ID:	161137
PubChem CID:	57390863
Reduced:	N2S2O3H12C20 (1)
Stoich.:	A2B2C3D12E20 (1)
Weight, g/mol:	283.030314
ΔH_f, kcal/mol:	-13.38
Dipole, Da:	5.5
IP(EA), eV:	-8.91(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C3=CC4=C(C=C3)SC=C4/C=C/5\C(=O)NC(=S)N5)C(=O)O1

DOS

IR

Vibrations