Geometry & MOs

Info

ID:	218396
PubChem CID:	85089283
Reduced:	F2O4N6H17C21 (1)
Stoich.:	A2B4C6D17E21 (1)
Weight, g/mol:	456.193674
ΔH_f, kcal/mol:	-116.3
Dipole, Da:	4.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.797303
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-1-phenyl-2-propan-2-yloxyethyl) 5-oxo-2,3-diphenylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

C[N+]1=C2C(=NC(=N2)C(=O)NCC3=CC(=NC=C3)OC)C(=O)N(C1=O)CC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations