Geometry & MOs

Info

ID:	337411
PubChem CID:	127257096
Reduced:	NS2O5H7C11 (1)
Stoich.:	AB2C5D7E11 (1)
Weight, g/mol:	238.066365
ΔH_f, kcal/mol:	-146.25
Dipole, Da:	6.74
IP(EA), eV:	-9.52(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-2-oxocyclohexyl) thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CSC(=C1C(=O)O)C(=O)NC2=CSC=C2C(=O)O

DOS

IR

Vibrations