Geometry & MOs

Info

ID:	72390
PubChem CID:	48416121
Reduced:	FN2O5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	387.184586
ΔH_f, kcal/mol:	-226.56
Dipole, Da:	5.43
IP(EA), eV:	-8.7(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CNC(=O)C2=CC=CC=C2F)C(=O)OC

DOS

IR

Vibrations