Geometry & MOs

Info

ID:	79997
PubChem CID:	49832081
Reduced:	NO2F3C27H28 (1)
Stoich.:	AB2C3D27E28 (1)
Weight, g/mol:	455.207214
ΔH_f, kcal/mol:	-211.82
Dipole, Da:	4.74
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3S)-3-[[(1S)-1-naphthalen-1-ylethyl]amino]cyclopentyl]-2-(trifluoromethyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC2=CC=CC=C21)N[C@H]3CCC(C3)C4=CC(=C(C=C4)CCC(=O)O)C(F)(F)F

DOS

IR

Vibrations