Geometry & MOs

Info

ID:	37544
PubChem CID:	8022065
Reduced:	BrNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	367.98955
ΔH_f, kcal/mol:	-134.42
Dipole, Da:	3.0
IP(EA), eV:	-9.42(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(5-bromo-2-hydroxybenzoyl)oxymethyl]-2-methylfuran-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)COC(=O)C1=C(C=CC(=C1)Br)O)C2=CC=CC=C2

DOS

IR

Vibrations