Geometry & MOs

Info

ID:	68815
PubChem CID:	46509145
Reduced:	N3O6H21C28 (1)
Stoich.:	A3B6C21D28 (1)
Weight, g/mol:	428.03717
ΔH_f, kcal/mol:	-118.62
Dipole, Da:	4.51
IP(EA), eV:	-8.53(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(4-bromophenoxy)propanoylamino]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=CO5

DOS

IR

Vibrations