Geometry & MOs

Info

ID:	178268
PubChem CID:	76307405
Reduced:	S2N3O7C19H27 (1)
Stoich.:	A2B3C7D19E27 (1)
Weight, g/mol:	407.083887
ΔH_f, kcal/mol:	-273.76
Dipole, Da:	7.86
IP(EA), eV:	-9.28(-1.0)
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 5-fluoro-3-methyl-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)OCCCN2C(=O)CSC2=CC(=O)OC)C

DOS

IR

Vibrations