Geometry & MOs

Info

ID:	63402
PubChem CID:	26758249
Reduced:	BrSO3N5C18H20 (1)
Stoich.:	ABC3D5E18F20 (1)
Weight, g/mol:	384.11215
ΔH_f, kcal/mol:	-25.48
Dipole, Da:	1.05
IP(EA), eV:	-9.07(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations