Geometry & MOs

Info

ID:	138170
PubChem CID:	52323170
Reduced:	ClSN2O5H16C18 (1)
Stoich.:	ABC2D5E16F18 (1)
Weight, g/mol:	494.198777
ΔH_f, kcal/mol:	-116.41
Dipole, Da:	2.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763136
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[[(1S)-2-morpholin-4-yl-1-phenylethyl]amino]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=NC(=O)C(=C([O-])OC)[C@H]([C@H]1C#N)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations