Geometry & MOs

Info

ID:	72430
PubChem CID:	48416168
Reduced:	FNO5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	415.199488
ΔH_f, kcal/mol:	-220.01
Dipole, Da:	4.86
IP(EA), eV:	-8.75(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)COC2=CC=CC=C2F)C(=O)OC

DOS

IR

Vibrations