Geometry & MOs

Info

ID:	84006
PubChem CID:	49863167
Reduced:	Cl2O3N5H25C29 (1)
Stoich.:	A2B3C5D25E29 (1)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	-18.83
Dipole, Da:	8.56
IP(EA), eV:	-9.12(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5Z)-2,4-dioxo-5-(3-phenylpropylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CN=CN1)NC(=O)CCC2=CC(=NN2C3=CC4=CC=CC=C4C=C3)C5=CC(=CC(=C5)Cl)Cl

DOS

IR

Vibrations