Geometry & MOs

Info

ID:	321959
PubChem CID:	126667524
Reduced:	SF3O3N6H11C17 (1)
Stoich.:	AB3C3D6E11F17 (1)
Weight, g/mol:	394.90823
ΔH_f, kcal/mol:	-53.21
Dipole, Da:	10.88
IP(EA), eV:	-8.75(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-fluoro-2-iodo-5-nitrophenyl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CN1C2=C(C(=N1)C3=NC(=NC=C3)NC4=CC(=C(C=C4OC(F)F)F)[N+](=O)[O-])SC=C2

DOS

IR

Vibrations