Geometry & MOs

Info

ID:	245023
PubChem CID:	99432153
Reduced:	N4O6H24C25 (1)
Stoich.:	A4B6C24D25 (1)
Weight, g/mol:	413.147452
ΔH_f, kcal/mol:	-83.79
Dipole, Da:	7.39
IP(EA), eV:	-9.64(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(2,4,5-trimethoxybenzoyl)amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C

DOS

IR

Vibrations