Geometry & MOs

Info

ID:	87899
PubChem CID:	49898482
Reduced:	NSO4H21C25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	573.06094
ΔH_f, kcal/mol:	-58.97
Dipole, Da:	3.38
IP(EA), eV:	-8.64(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-(naphthalen-1-ylmethyl)-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=CC4=CC=CC=C4C=C3)OCC=C

DOS

IR

Vibrations