Geometry & MOs

Info

ID:	63438
PubChem CID:	26758348
Reduced:	SO4N5C22H23 (1)
Stoich.:	AB4C5D22E23 (1)
Weight, g/mol:	334.076513
ΔH_f, kcal/mol:	-53.96
Dipole, Da:	3.42
IP(EA), eV:	-8.31(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(phenylcarbamoylamino)ethyl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations