Geometry & MOs

Info

ID:	43737
PubChem CID:	10321719
Reduced:	Cl2N3O3H17C23 (1)
Stoich.:	A2B3C3D17E23 (1)
Weight, g/mol:	452.977539
ΔH_f, kcal/mol:	-22.82
Dipole, Da:	11.17
IP(EA), eV:	-9.42(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(2,4-dichlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=NN=C2C3=CC=CC(=C3)CC(=O)O)CC4=C(C=NC=C4Cl)Cl

DOS

IR

Vibrations