Geometry & MOs

Info

ID:	88341
PubChem CID:	49902985
Reduced:	INSO4H22C29 (1)
Stoich.:	ABCD4E22F29 (1)
Weight, g/mol:	377.072179
ΔH_f, kcal/mol:	-30.12
Dipole, Da:	1.65
IP(EA), eV:	-8.75(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-methylphenyl)methyl]-5-[(4-oxochromen-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43)OCC5=CC=C(C=C5)I

DOS

IR

Vibrations