Geometry & MOs

Info

ID:	158268
PubChem CID:	56463257
Reduced:	BrN3O4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	415.00891
ΔH_f, kcal/mol:	-73.98
Dipole, Da:	7.79
IP(EA), eV:	-8.88(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromophenoxy)methyl]-N-(2-ethylsulfonylethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Br)C(=O)NC(C2=NC(=NO2)C3CC3)C(C)C)OC

DOS

IR

Vibrations