Geometry & MOs

Info

ID:	375773
PubChem CID:	134221763
Reduced:	SN2F3O3C12H15 (1)
Stoich.:	AB2C3D3E12F15 (1)
Weight, g/mol:	505.167142
ΔH_f, kcal/mol:	-229.31
Dipole, Da:	2.88
IP(EA), eV:	-9.39(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-amino-5-[[4-[2-(5-ethylpyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-4-oxo-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CS(=N)(=O)C1=CC=C(C=C1)[C@H]([C@@H](CF)NC(=O)C(F)F)O

DOS

IR

Vibrations