Geometry & MOs

Info

ID:	228923
PubChem CID:	87566253
Reduced:	ClOF3N3H23C24 (1)
Stoich.:	ABC3D3E23F24 (1)
Weight, g/mol:	406.022782
ΔH_f, kcal/mol:	-140.79
Dipole, Da:	3.98
IP(EA), eV:	-9.54(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	-4

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CNC(=O)[C@H](C1=CC=CC=C1)N[C@H](CCC2=CC=C(C=C2)C(F)(F)F)C3=NC(=CC=C3)Cl

DOS

IR

Vibrations