Geometry & MOs

Info

ID:	72464
PubChem CID:	48416204
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	409.05249
ΔH_f, kcal/mol:	-200.12
Dipole, Da:	5.76
IP(EA), eV:	-8.95(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(5-bromofuran-2-carbonyl)amino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC

DOS

IR

Vibrations