Geometry & MOs

Info

ID:	87967
PubChem CID:	49899126
Reduced:	BrNS2O5H18C27 (1)
Stoich.:	ABC2D5E18F27 (1)
Weight, g/mol:	562.99575
ΔH_f, kcal/mol:	-75.15
Dipole, Da:	4.25
IP(EA), eV:	-9.0(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(naphthalen-2-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)Br)OC(=O)C5=CC=CS5

DOS

IR

Vibrations