Geometry & MOs

Info

ID:	299902
PubChem CID:	117911902
Reduced:	O2N4C9H10 (1)
Stoich.:	A2B4C9D10 (1)
Weight, g/mol:	430.157386
ΔH_f, kcal/mol:	-27.51
Dipole, Da:	2.98
IP(EA), eV:	-8.58(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-fluorophenyl)-[(2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-oxopyrrolidin-2-yl]methyl] methanesulfonate

Drug info:

PubChemData

Smile

CCNC1=NC=CC2=C1C(=NN2)C(=O)O

DOS

IR

Vibrations