Geometry & MOs

Info

ID:	87724
PubChem CID:	49896812
Reduced:	NSO2F3H14C19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	452.155849
ΔH_f, kcal/mol:	-187.73
Dipole, Da:	2.48
IP(EA), eV:	-9.44(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)C(F)(F)F)/SC2=O

DOS

IR

Vibrations