Geometry & MOs

Info

ID:	63386
PubChem CID:	26758219
Reduced:	BrSO3N5C15H16 (1)
Stoich.:	ABC3D5E15F16 (1)
Weight, g/mol:	388.087078
ΔH_f, kcal/mol:	-40.44
Dipole, Da:	1.84
IP(EA), eV:	-9.12(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N)Br

DOS

IR

Vibrations