Geometry & MOs

Info

ID:	87267
PubChem CID:	49893502
Reduced:	SN3O6H19C24 (1)
Stoich.:	AB3C6D19E24 (1)
Weight, g/mol:	406.062343
ΔH_f, kcal/mol:	-86.89
Dipole, Da:	2.22
IP(EA), eV:	-8.93(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-2,4-dioxo-5-[(4-oxochromen-3-yl)methylidene]-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations