Geometry & MOs

Info

ID:	86735
PubChem CID:	49888761
Reduced:	ClSN2O6H13C18 (1)
Stoich.:	ABC2D6E13F18 (1)
Weight, g/mol:	508.085971
ΔH_f, kcal/mol:	-104.6
Dipole, Da:	4.34
IP(EA), eV:	-9.63(-1.58)
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-chloro-6-methoxyphenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1[N+](=O)[O-])/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations