Geometry & MOs

Info

ID:	375777
PubChem CID:	134221767
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	550.177372
ΔH_f, kcal/mol:	-174.35
Dipole, Da:	3.93
IP(EA), eV:	-8.87(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (5S)-5-[[4-[2-[5-(1-acetyloxyethyl)pyridin-2-yl]ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidine-5-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)OCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3

DOS

IR

Vibrations