Geometry & MOs

Info

ID:	72372
PubChem CID:	48416099
Reduced:	N2O5C19H22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	417.195151
ΔH_f, kcal/mol:	-183.67
Dipole, Da:	8.46
IP(EA), eV:	-8.62(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC=CNC2=O)C(=O)OC

DOS

IR

Vibrations