Geometry & MOs

Info

ID:	88166
PubChem CID:	49902032
Reduced:	ClSN2O5H13C21 (1)
Stoich.:	ABC2D5E13F21 (1)
Weight, g/mol:	600.01213
ΔH_f, kcal/mol:	-36.02
Dipole, Da:	6.36
IP(EA), eV:	-9.15(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(2-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-chloro-6-ethoxyphenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl)/SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations