Geometry & MOs

Info

ID:	87293
PubChem CID:	49893796
Reduced:	BrNSO5C30H30 (1)
Stoich.:	ABCD5E30F30 (1)
Weight, g/mol:	472.070463
ΔH_f, kcal/mol:	-166.59
Dipole, Da:	4.38
IP(EA), eV:	-9.21(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OC(=O)C45CC6CC(C4)CC(C6)C5)OC)/SC2=O

DOS

IR

Vibrations