Geometry & MOs

Info

ID:	320304
PubChem CID:	126659418
Reduced:	N2F3O3C26H33 (1)
Stoich.:	A2B3C3D26E33 (1)
Weight, g/mol:	508.210441
ΔH_f, kcal/mol:	-237.08
Dipole, Da:	4.84
IP(EA), eV:	-8.99(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-chloro-4-[N-[2-[4-cyclohexyl-3-(trifluoromethyl)phenyl]ethyl]-C-methylcarbonimidoyl]phenyl]methylamino]propanoic acid

Drug info:

PubChemData

Smile

C/C(=N\OCC1=CC=C(C=C1)CNCCC(=O)O)/C2=CC=C(C(C2)C(F)(F)F)C3CCCCC3

DOS

IR

Vibrations