Geometry & MOs

Info

ID:	224904
PubChem CID:	85664043
Reduced:	ClN3H12C16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	351.186815
ΔH_f, kcal/mol:	84.45
Dipole, Da:	3.63
IP(EA), eV:	-8.79(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-(2-octoxyphenyl)-1-oxo-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C=N2)N=C(C3=CC=C(C=C3)Cl)N

DOS

IR

Vibrations