Geometry & MOs

Info

ID:	72497
PubChem CID:	48416239
Reduced:	NO4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	419.140259
ΔH_f, kcal/mol:	-164.79
Dipole, Da:	4.64
IP(EA), eV:	-8.7(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2CCC=CC2)C(=O)OC

DOS

IR

Vibrations