Geometry & MOs

Info

ID:	87274
PubChem CID:	49893532
Reduced:	FISN2O5H20C26 (1)
Stoich.:	ABCD2E5F20G26 (1)
Weight, g/mol:	538.119858
ΔH_f, kcal/mol:	-130.91
Dipole, Da:	0.63
IP(EA), eV:	-8.89(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)I)OCC4=CC=C(C=C4)F

DOS

IR

Vibrations