Geometry & MOs

Info

ID:	72373
PubChem CID:	48416100
Reduced:	FNO5C23H28 (1)
Stoich.:	ABC5D23E28 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-235.92
Dipole, Da:	1.86
IP(EA), eV:	-8.73(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CCC2=CC(=C(C=C2)OC)F)C(=O)OC

DOS

IR

Vibrations