Geometry & MOs

Info

ID:	192378
PubChem CID:	78262886
Reduced:	ClOSN4H21C23 (1)
Stoich.:	ABCD4E21F23 (1)
Weight, g/mol:	456.075313
ΔH_f, kcal/mol:	79.28
Dipole, Da:	2.24
IP(EA), eV:	-8.9(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[[2-methoxy-4-[[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoate

Drug info:

PubChemData

Smile

CN1C(=NN=C1SC2=C(C3=CC(C=CC3=NC2=O)Cl)C4=CC=CC=C4)C5CCCC5

DOS

IR

Vibrations