Geometry & MOs

Info

ID:	228711
PubChem CID:	87565590
Reduced:	OCl2F3N3H22C24 (1)
Stoich.:	AB2C3D3E22F24 (1)
Weight, g/mol:	251.00319
ΔH_f, kcal/mol:	-151.01
Dipole, Da:	2.34
IP(EA), eV:	-9.43(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations