Geometry & MOs

Info

ID:	178747
PubChem CID:	76375062
Reduced:	ClF2O2N4H6C12 (1)
Stoich.:	AB2C2D4E6F12 (1)
Weight, g/mol:	392.915448
ΔH_f, kcal/mol:	-64.99
Dipole, Da:	3.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.813193
Charge, e:	0

Chem-info

IUPAC name:

1-(1-chloro-2-methyl-3,5,6-trioxo-2-azabicyclo[2.2.0]hexan-4-yl)ethyl 2,2,2-trichloroethyl carbonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)F)[N+]2=C3N=NC(=O)N3C(=CC2=O)F

DOS

IR

Vibrations