Geometry & MOs

Info

ID:	338793
PubChem CID:	127259804
Reduced:	NSO3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	274.066365
ΔH_f, kcal/mol:	-90.19
Dipole, Da:	3.39
IP(EA), eV:	-8.44(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-formyl-3-methylthiophen-2-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CSCCN1CC(C2=CC=CC=C2)(O)OC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations