Geometry & MOs

Info

ID:	72531
PubChem CID:	48416275
Reduced:	N2O6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	413.183838
ΔH_f, kcal/mol:	-220.64
Dipole, Da:	3.99
IP(EA), eV:	-8.82(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CCNC(=O)C2=COC=C2)C(=O)OC

DOS

IR

Vibrations