Geometry & MOs

Info

ID:	191905
PubChem CID:	78199913
Reduced:	ClFN2O3H12C13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	225.036068
ΔH_f, kcal/mol:	-143.55
Dipole, Da:	3.45
IP(EA), eV:	-9.99(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-thia-8,10,12-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,8,10,12-heptaene

Drug info:

PubChemData

Smile

CC(CNC(=O)C1C=NC2=CC(=C(C=C2C1=O)F)Cl)O

DOS

IR

Vibrations