Geometry & MOs

Info

ID:	128579
PubChem CID:	51051234
Reduced:	SN2O4H12C18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	455.065043
ΔH_f, kcal/mol:	-52.2
Dipole, Da:	4.07
IP(EA), eV:	-9.45(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenoxy]-2-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)S2)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations