Geometry & MOs

Info

ID:	261492
PubChem CID:	103236243
Reduced:	SN2O2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	341.00628
ΔH_f, kcal/mol:	-23.66
Dipole, Da:	5.94
IP(EA), eV:	-9.41(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[1-(2-bromo-4-fluoroanilino)ethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

C1=CN=CC=C1CNCC2=C(SC=C2)C(=O)O

DOS

IR

Vibrations