Geometry & MOs

Info

ID:	87495
PubChem CID:	49895028
Reduced:	BrFNSO2H13C18 (1)
Stoich.:	ABCDE2F13G18 (1)
Weight, g/mol:	499.18173
ΔH_f, kcal/mol:	-68.52
Dipole, Da:	2.3
IP(EA), eV:	-9.35(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)F)/SC2=O

DOS

IR

Vibrations