Geometry & MOs

Info

ID:	165297
PubChem CID:	74528792
Reduced:	ClNSO5H16C20 (1)
Stoich.:	ABCD5E16F20 (1)
Weight, g/mol:	428.104208
ΔH_f, kcal/mol:	-155.07
Dipole, Da:	3.14
IP(EA), eV:	-9.3(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)OCCC(=O)O

DOS

IR

Vibrations