Geometry & MOs

Info

ID:	195464
PubChem CID:	78689864
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	346.017891
ΔH_f, kcal/mol:	-83.63
Dipole, Da:	6.32
IP(EA), eV:	-8.03(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=CC=C(C=C2)C=NNC(=O)C3CCS(=O)(=O)C3

DOS

IR

Vibrations