Geometry & MOs

Info

ID:	88456
PubChem CID:	49903603
Reduced:	BrSN2O4H21C25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	494.094786
ΔH_f, kcal/mol:	-79.6
Dipole, Da:	9.93
IP(EA), eV:	-8.4(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=CC=C5Br

DOS

IR

Vibrations