Geometry & MOs

Info

ID:	171186
PubChem CID:	75341356
Reduced:	SCl2N2O4H22C24 (1)
Stoich.:	AB2C2D4E22F24 (1)
Weight, g/mol:	507.182792
ΔH_f, kcal/mol:	-120.92
Dipole, Da:	2.53
IP(EA), eV:	-9.13(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-[3-[[2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)Cl)SC2=O

DOS

IR

Vibrations