Geometry & MOs

Info

ID:	87718
PubChem CID:	49896763
Reduced:	FNSBr2O3H18C25 (1)
Stoich.:	ABCD2E3F18G25 (1)
Weight, g/mol:	477.141008
ΔH_f, kcal/mol:	-76.34
Dipole, Da:	2.56
IP(EA), eV:	-9.4(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]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)Br)OCC4=CC=CC=C4F)Br)/SC2=O

DOS

IR

Vibrations