Geometry & MOs

Info

ID:	72449
PubChem CID:	48416187
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	373.168936
ΔH_f, kcal/mol:	-104.18
Dipole, Da:	4.76
IP(EA), eV:	-9.04(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC=CC(=C2)C#N)C(=O)OC

DOS

IR

Vibrations