Geometry & MOs

Info

ID:	86699
PubChem CID:	49888530
Reduced:	ClISN2O5H24C28 (1)
Stoich.:	ABCD2E5F24G28 (1)
Weight, g/mol:	445.99359
ΔH_f, kcal/mol:	-114.62
Dipole, Da:	4.16
IP(EA), eV:	-8.83(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-bromophenoxy]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)I)OCC(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations