Geometry & MOs

Info

ID:	165301
PubChem CID:	74529051
Reduced:	ClN2S2O6H15C20 (1)
Stoich.:	AB2C2D6E15F20 (1)
Weight, g/mol:	462.035557
ΔH_f, kcal/mol:	-124.81
Dipole, Da:	1.41
IP(EA), eV:	-9.19(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[3-[(2-fluorobenzoyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3Cl)OCC(=O)O

DOS

IR

Vibrations