Geometry & MOs

Info

ID:	69241
PubChem CID:	46530509
Reduced:	O2N6H24C29 (1)
Stoich.:	A2B6C24D29 (1)
Weight, g/mol:	488.03717
ΔH_f, kcal/mol:	109.35
Dipole, Da:	3.87
IP(EA), eV:	-9.29(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[2-(4-bromobenzoyl)benzoyl]amino]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)C3=CC(=NC4=C3C=NN4CC5=CC=CO5)C6=CC=CC=C6

DOS

IR

Vibrations