Geometry & MOs

Info

ID:	66011
PubChem CID:	46488109
Reduced:	SN3O3H17C21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	456.06847
ΔH_f, kcal/mol:	-18.44
Dipole, Da:	8.41
IP(EA), eV:	-8.62(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)CC2=CC(=CC=C2)C(=O)NC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations