Geometry & MOs

Info

ID:	167945
PubChem CID:	74902693
Reduced:	SN2O4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	412.109293
ΔH_f, kcal/mol:	-84.94
Dipole, Da:	2.78
IP(EA), eV:	-9.01(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-(3-methoxyanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenoxy]butanoic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC=CC=C3OC(C)C(=O)O)S2

DOS

IR

Vibrations