Geometry & MOs

Info

ID:	72369
PubChem CID:	48416096
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	406.156243
ΔH_f, kcal/mol:	-99.6
Dipole, Da:	6.63
IP(EA), eV:	-8.58(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=NNC3=CC=CC=C32)C(=O)OC

DOS

IR

Vibrations