Geometry & MOs

Info

ID:	376093
PubChem CID:	134222096
Reduced:	SN2O6H24C27 (1)
Stoich.:	AB2C6D24E27 (1)
Weight, g/mol:	490.156243
ΔH_f, kcal/mol:	-135.43
Dipole, Da:	8.07
IP(EA), eV:	-8.82(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (5S)-5-[[4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl]methyl]-2-oxo-1,3-thiazolidine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)CC3(C(=O)N=C(S3)N)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations