Geometry & MOs

Info

ID:	417797
PubChem CID:	135102776
Reduced:	NSF3O6C13H14 (1)
Stoich.:	ABC3D6E13F14 (1)
Weight, g/mol:	376.179835
ΔH_f, kcal/mol:	-402.1
Dipole, Da:	3.39
IP(EA), eV:	-10.32(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-cyclopentylpropyl(methyl)amino]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@H]1O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations