Geometry & MOs

Info

ID:	178269
PubChem CID:	76307406
Reduced:	FNSO6H18C19 (1)
Stoich.:	ABCD6E18F19 (1)
Weight, g/mol:	463.087178
ΔH_f, kcal/mol:	-242.93
Dipole, Da:	1.93
IP(EA), eV:	-9.49(-1.18)
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-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)F)C(=O)OCCCN3C(=O)CSC3=CC(=O)OC

DOS

IR

Vibrations