Geometry & MOs

Info

ID:	387214
PubChem CID:	134984433
Reduced:	NO7C19H27 (1)
Stoich.:	AB7C19D27 (1)
Weight, g/mol:	407.165207
ΔH_f, kcal/mol:	-250.15
Dipole, Da:	4.3
IP(EA), eV:	-9.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(3S,4R)-3-(4-chlorophenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]ethanol

Drug info:

PubChemData

Smile

COCCOCO[C@@H]1CN2[C@H]([C@@H]1OC(=O)C3=CC=CC=C3)C[C@@H](O2)CCO

DOS

IR

Vibrations