Geometry & MOs

Info

ID:	149790
PubChem CID:	53789466
Reduced:	O7C37H48 (1)
Stoich.:	A7B37C48 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-259.31
Dipole, Da:	4.88
IP(EA), eV:	-8.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-(methylamino)-3-[4-(1,2-oxazol-5-yl)phenyl]propanoate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C(=C1CC=CC)OC(=O)C(C)(C)C)CC=CC)C=C(C(=O)C2=CC=C(C=C2)OC(=O)C(C)(C)C)OC

DOS

IR

Vibrations