Geometry & MOs

Info

ID:	302773
PubChem CID:	124395075
Reduced:	ClFN3O5H21C24 (1)
Stoich.:	ABC3D5E21F24 (1)
Weight, g/mol:	472.99663
ΔH_f, kcal/mol:	-134.0
Dipole, Da:	2.85
IP(EA), eV:	-8.62(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-bromo-2-ethoxy-4-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC(=O)N/N=C/C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3F)Cl

DOS

IR

Vibrations