Geometry & MOs

Info

ID:	192506
PubChem CID:	78278375
Reduced:	N4O4C8H15 (1)
Stoich.:	A4B4C8D15 (1)
Weight, g/mol:	329.073322
ΔH_f, kcal/mol:	-178.06
Dipole, Da:	6.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754099
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-fluorobenzoate

Drug info:

PubChemData

Smile

C(CCNC(=O)N)CC(C(=O)[O-])NC(=O)N

DOS

IR

Vibrations