Geometry & MOs

Info

ID:	226531
PubChem CID:	87457786
Reduced:	ClSF3O3N4H16C19 (1)
Stoich.:	ABC3D3E4F16G19 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	-242.54
Dipole, Da:	5.32
IP(EA), eV:	-9.69(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 6-O-propyl hexa-2,4-diynedioate

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1CC2=CC(=NC(=C2)Cl)C(=O)N)C3=CC=C(C=C3)SC(F)(F)F)C

DOS

IR

Vibrations