Geometry & MOs

Info

ID:	167944
PubChem CID:	74902089
Reduced:	NSO5H19C21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	396.114378
ΔH_f, kcal/mol:	-152.31
Dipole, Da:	2.75
IP(EA), eV:	-9.17(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)O)OC1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)C3=CC=C(C=C3)C

DOS

IR

Vibrations