Geometry & MOs

Info

ID:	396831
PubChem CID:	135029289
Reduced:	O3H14C18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	230.06128
ΔH_f, kcal/mol:	-57.78
Dipole, Da:	1.23
IP(EA), eV:	-9.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-1,1-dioxo-5-propylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

C\1COC2=CC=CC=C2/C1=C/3\[C@@H](C4=CC=CC=C4C3=O)O

DOS

IR

Vibrations