Geometry & MOs

Info

ID:	87637
PubChem CID:	49896148
Reduced:	ClNSO4H18C22 (1)
Stoich.:	ABCD4E18F22 (1)
Weight, g/mol:	377.069734
ΔH_f, kcal/mol:	-48.75
Dipole, Da:	4.25
IP(EA), eV:	-8.84(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(3-methylphenyl)methyl]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)OCC#C)OC)/SC2=O

DOS

IR

Vibrations