Geometry & MOs

Info

ID:	54283
PubChem CID:	16957378
Reduced:	OSF3N3H18C19 (1)
Stoich.:	ABC3D3E18F19 (1)
Weight, g/mol:	319.141973
ΔH_f, kcal/mol:	-136.07
Dipole, Da:	6.65
IP(EA), eV:	-9.41(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethoxy-N-(3-ethoxypropyl)-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N

DOS

IR

Vibrations