Geometry & MOs

Info

ID:	63377
PubChem CID:	26758208
Reduced:	BrSO3N5C19H24 (1)
Stoich.:	ABC3D5E19F24 (1)
Weight, g/mol:	388.087078
ΔH_f, kcal/mol:	-65.88
Dipole, Da:	0.79
IP(EA), eV:	-9.01(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations