Geometry & MOs

Info

ID:	38248
PubChem CID:	8028473
Reduced:	Cl2S2N3O3H11C14 (1)
Stoich.:	A2B2C3D3E11F14 (1)
Weight, g/mol:	372.054183
ΔH_f, kcal/mol:	-65.13
Dipole, Da:	4.74
IP(EA), eV:	-9.69(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

C1[C@H]2[C@H](CS1(=O)=O)SC(=NC(=O)CC#N)N2C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations