Geometry & MOs

Info

ID:	87428
PubChem CID:	49894582
Reduced:	NSI2O3H13C18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	471.01399
ΔH_f, kcal/mol:	-35.6
Dipole, Da:	1.35
IP(EA), eV:	-9.32(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)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=CC(=C(C(=C3)I)O)I)/SC2=O

DOS

IR

Vibrations