Geometry & MOs

Info

ID:	263075
PubChem CID:	103338425
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	299.096914
ΔH_f, kcal/mol:	-50.38
Dipole, Da:	8.73
IP(EA), eV:	-9.54(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-difluoro-2-[2-methoxyethyl(prop-2-enyl)carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

COCCN(CC=C)S(=O)(=O)C1=C(C=C(C=C1)N)C#N

DOS

IR

Vibrations