Geometry & MOs

Info

ID:	72535
PubChem CID:	48416279
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	407.154429
ΔH_f, kcal/mol:	-139.29
Dipole, Da:	2.49
IP(EA), eV:	-8.29(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CC2=C(NC3=CC=CC=C32)C)C(=O)OC

DOS

IR

Vibrations