Geometry & MOs

Info

ID:	390921
PubChem CID:	135001578
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	203.964793
ΔH_f, kcal/mol:	-45.73
Dipole, Da:	2.76
IP(EA), eV:	-9.07(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-3-oxo-2-thiophen-3-ylpropanoic acid

Drug info:

PubChemData

Smile

COC(=O)N1C=CC[C@@H]1C2=CC=CC=C2

DOS

IR

Vibrations