Geometry & MOs

Info

ID:	46287
PubChem CID:	10523732
Reduced:	N2O2F3C17H21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	378.02152
ΔH_f, kcal/mol:	-158.56
Dipole, Da:	5.14
IP(EA), eV:	-8.77(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxopyrrolidin-3-yl] 2-bromoacetate

Drug info:

PubChemData

Smile

C1CC1C(=NOCC(CNC2=CC=C(C=C2)C(F)(F)F)O)C3CC3

DOS

IR

Vibrations