Geometry & MOs

Info

ID:	405391
PubChem CID:	135073728
Reduced:	ClN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	409.065176
ΔH_f, kcal/mol:	-26.51
Dipole, Da:	3.19
IP(EA), eV:	-9.21(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)imino-3-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)N2C(=O)COC2=NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations