Geometry & MOs

Info

ID:	87088
PubChem CID:	49891813
Reduced:	FNSBr2O4H18C25 (1)
Stoich.:	ABCD2E4F18G25 (1)
Weight, g/mol:	483.070735
ΔH_f, kcal/mol:	-104.06
Dipole, Da:	1.86
IP(EA), eV:	-9.32(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3F)Br)OCC4=CC=C(C=C4)Br

DOS

IR

Vibrations