Geometry & MOs

Info

ID:	328569
PubChem CID:	126725245
Reduced:	OF3N5H22C23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	522.146565
ΔH_f, kcal/mol:	-68.89
Dipole, Da:	4.63
IP(EA), eV:	-8.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl] 2-fluoro-4-(2-hydroxy-5-methyl-5-propyl-1,3-dioxan-2-yl)benzoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC(=C(C=C2)F)C3=NN=C(C=C3)NCC[C@@H](CC4=C(C=CC=N4)F)F

DOS

IR

Vibrations