Geometry & MOs

Info

ID:	86981
PubChem CID:	49890321
Reduced:	BrSN2O4H13C19 (1)
Stoich.:	ABC2D4E13F19 (1)
Weight, g/mol:	355.94664
ΔH_f, kcal/mol:	-53.4
Dipole, Da:	5.8
IP(EA), eV:	-9.2(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=O)S2)Br)OCC3=CC=C(C=C3)C#N

DOS

IR

Vibrations