Geometry & MOs

Info

ID:	171166
PubChem CID:	75337031
Reduced:	NSO5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	396.039163
ΔH_f, kcal/mol:	-188.65
Dipole, Da:	5.42
IP(EA), eV:	-8.9(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,4-dioxo-5-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)OCC

DOS

IR

Vibrations