Geometry & MOs

Info

ID:	168993
PubChem CID:	75052831
Reduced:	N3C27H46 (1)
Stoich.:	A3B27C46 (1)
Weight, g/mol:	619.210562
ΔH_f, kcal/mol:	-48.28
Dipole, Da:	2.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762507
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[3-(2-amino-2-phenylethyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1,3-diazinan-5-yl]-2-fluorophenoxy]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC1C[N+]2=C(N1CCC34CC5CC(C3)CC(C5)C4)NCC2C6CCCCC6

DOS

IR

Vibrations