Geometry & MOs

Info

ID:	165299
PubChem CID:	74529049
Reduced:	N2S2O7H18C21 (1)
Stoich.:	A2B2C7D18E21 (1)
Weight, g/mol:	462.035557
ΔH_f, kcal/mol:	-160.16
Dipole, Da:	7.03
IP(EA), eV:	-9.31(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NN2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)OC)SC2=S

DOS

IR

Vibrations