Geometry & MOs

Info

ID:	165300
PubChem CID:	74529050
Reduced:	FN2S2O6H15C20 (1)
Stoich.:	AB2C2D6E15F20 (1)
Weight, g/mol:	478.006006
ΔH_f, kcal/mol:	-163.4
Dipole, Da:	6.75
IP(EA), eV:	-9.07(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[3-[(2-chlorobenzoyl)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=C(C=C3)F)OCC(=O)O

DOS

IR

Vibrations