Geometry & MOs

Info

ID:	87421
PubChem CID:	49894540
Reduced:	SN2O5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	442.083472
ΔH_f, kcal/mol:	-148.02
Dipole, Da:	7.71
IP(EA), eV:	-8.71(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]acetic acid

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OC

DOS

IR

Vibrations