Geometry & MOs

Info

ID:	245002
PubChem CID:	99432095
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	435.98255
ΔH_f, kcal/mol:	-54.7
Dipole, Da:	5.31
IP(EA), eV:	-9.25(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(5-bromo-2-chloropyridine-3-carbonyl)amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)C3=C(N(N=N3)C4=CC=CC(=C4)C)C

DOS

IR

Vibrations