Geometry & MOs

Info

ID:	195465
PubChem CID:	78690148
Reduced:	ClSN2O3H11C16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	358.062343
ΔH_f, kcal/mol:	-2.03
Dipole, Da:	3.08
IP(EA), eV:	-9.38(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxy-4-methoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=C(CC(=O)O)C2=NC(=NO2)C3=CSC=C3)Cl

DOS

IR

Vibrations