Geometry & MOs

Info

ID:	313056
PubChem CID:	126611337
Reduced:	ON3H43C58 (1)
Stoich.:	AB3C43D58 (1)
Weight, g/mol:	341.072179
ΔH_f, kcal/mol:	212.97
Dipole, Da:	1.08
IP(EA), eV:	-8.4(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[(4-phenacyloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC=CC6=C5OC7=C6C=CC=C7C8=CC(=CC=C8)C9=NC(=NC(=N9)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations