Geometry & MOs

Info

ID:	149104
PubChem CID:	53788776
Reduced:	Cl2N3O3H19C20 (1)
Stoich.:	A2B3C3D19E20 (1)
Weight, g/mol:	624.307402
ΔH_f, kcal/mol:	-79.5
Dipole, Da:	3.71
IP(EA), eV:	-9.54(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluorooctan-2-yl 2-fluoro-4-[4-(5-octyl-1,3-dioxan-2-yl)benzoyl]oxybenzoate

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)C=CC(=O)NCC(=O)N(C)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations