Geometry & MOs

Info

ID:	87685
PubChem CID:	49896508
Reduced:	BrSN2O4H17C20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	479.095807
ΔH_f, kcal/mol:	-102.89
Dipole, Da:	1.55
IP(EA), eV:	-9.36(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC(=O)N)/SC2=O

DOS

IR

Vibrations