Geometry & MOs

Info

ID:	171174
PubChem CID:	75339139
Reduced:	SN2O8H12C18 (1)
Stoich.:	AB2C8D12E18 (1)
Weight, g/mol:	319.087829
ΔH_f, kcal/mol:	-248.71
Dipole, Da:	5.22
IP(EA), eV:	-9.4(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2,4-dioxo-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

C1=C(OC(=C1)C2=CC(=CC(=C2)C(=O)O)C(=O)O)C=C3C(=O)N(C(=O)S3)CC(=O)N

DOS

IR

Vibrations