Geometry & MOs

Info

ID:	36876
PubChem CID:	8014140
Reduced:	BrNO4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	350.082409
ΔH_f, kcal/mol:	-136.34
Dipole, Da:	5.0
IP(EA), eV:	-9.26(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(2-methoxy-4-methylsulfanylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=CCCCC1)OC(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations