Geometry & MOs

Info

ID:	86765
PubChem CID:	49889055
Reduced:	BrNSO5H22C30 (1)
Stoich.:	ABCD5E22F30 (1)
Weight, g/mol:	479.01908
ΔH_f, kcal/mol:	-90.01
Dipole, Da:	5.1
IP(EA), eV:	-9.29(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)Br)OC(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations