Geometry & MOs

Info

ID:	88385
PubChem CID:	49903146
Reduced:	ClISN2O5H20C26 (1)
Stoich.:	ABCD2E5F20G26 (1)
Weight, g/mol:	562.99575
ΔH_f, kcal/mol:	-98.14
Dipole, Da:	2.38
IP(EA), eV:	-8.9(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-4-[(4-chlorophenyl)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=CC(=CC=C3)Cl)I)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations