Geometry & MOs

Info

ID:	63384
PubChem CID:	26758217
Reduced:	BrSO3N5C17H20 (1)
Stoich.:	ABC3D5E17F20 (1)
Weight, g/mol:	388.087078
ΔH_f, kcal/mol:	-46.79
Dipole, Da:	0.95
IP(EA), eV:	-9.01(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations