Geometry & MOs

Info

ID:	435280
PubChem CID:	135187601
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	251.043856
ΔH_f, kcal/mol:	-40.65
Dipole, Da:	6.61
IP(EA), eV:	-9.09(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dimethylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC(CC=O)C1=NC(=O)C2=CC=CC=C2N1

DOS

IR

Vibrations