Geometry & MOs

Info

ID:	87556
PubChem CID:	49895352
Reduced:	BrSN2O4H25C28 (1)
Stoich.:	ABC2D4E25F28 (1)
Weight, g/mol:	493.111457
ΔH_f, kcal/mol:	-94.1
Dipole, Da:	1.63
IP(EA), eV:	-8.76(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC(=O)NC4=C(C=CC(=C4)C)C)/SC2=O

DOS

IR

Vibrations