Geometry & MOs

Info

ID:	178272
PubChem CID:	76307720
Reduced:	SN3O6C24H29 (1)
Stoich.:	AB3C6D24E29 (1)
Weight, g/mol:	447.021322
ΔH_f, kcal/mol:	-228.41
Dipole, Da:	2.9
IP(EA), eV:	-8.98(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl 2-chloro-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCCCN3C(=O)CSC3=CC(=O)OC

DOS

IR

Vibrations