Geometry & MOs

Info

ID:	48971
PubChem CID:	11528538
Reduced:	NF3O3C6H10 (1)
Stoich.:	AB3C3D6E10 (1)
Weight, g/mol:	201.100108
ΔH_f, kcal/mol:	-301.97
Dipole, Da:	4.31
IP(EA), eV:	-9.65(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S)-3-(carboxymethyl)-4-propan-2-ylazetidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H]([C@@H](O[C@@H]1O)C(F)(F)F)O)N

DOS

IR

Vibrations