Geometry & MOs

Info

ID:	66146
PubChem CID:	46499975
Reduced:	ClSN3O5H16C17 (1)
Stoich.:	ABC3D5E16F17 (1)
Weight, g/mol:	311.061614
ΔH_f, kcal/mol:	-51.0
Dipole, Da:	4.29
IP(EA), eV:	-9.41(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

C1COCCN1/C(=N\S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)/C3=CC=CC=C3

DOS

IR

Vibrations