Geometry & MOs

Info

ID:	87761
PubChem CID:	49897105
Reduced:	SN2O6H22C27 (1)
Stoich.:	AB2C6D22E27 (1)
Weight, g/mol:	406.059898
ΔH_f, kcal/mol:	-151.13
Dipole, Da:	9.03
IP(EA), eV:	-8.82(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-2,4-dioxo-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4)OC

DOS

IR

Vibrations