Geometry & MOs

Info

ID:	397172
PubChem CID:	135029836
Reduced:	NO5F6C29H35 (1)
Stoich.:	AB5C6D29E35 (1)
Weight, g/mol:	371.080299
ΔH_f, kcal/mol:	-553.82
Dipole, Da:	7.43
IP(EA), eV:	-9.69(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-1-(4-methylphenyl)sulfonyl-3-phenoxy-2-(trifluoromethyl)azetidine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC[C@@H]([C@H](C1=CC=CC=C1)NC(=O)OC(C)(C)C)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations