Geometry & MOs

Info

ID:	87657
PubChem CID:	49896316
Reduced:	FNSO4H22C26 (1)
Stoich.:	ABCD4E22F26 (1)
Weight, g/mol:	523.04529
ΔH_f, kcal/mol:	-122.72
Dipole, Da:	2.48
IP(EA), eV:	-8.71(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4F)OC)/SC2=O

DOS

IR

Vibrations