Geometry & MOs

Info

ID:	72434
PubChem CID:	48416172
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	373.168936
ΔH_f, kcal/mol:	-156.05
Dipole, Da:	3.5
IP(EA), eV:	-8.62(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations