Geometry & MOs

Info

ID:	392589
PubChem CID:	135017287
Reduced:	NO5C16H29 (1)
Stoich.:	AB5C16D29 (1)
Weight, g/mol:	409.282823
ΔH_f, kcal/mol:	-237.42
Dipole, Da:	4.69
IP(EA), eV:	-8.97(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-[(2S,3S,4S)-1-benzyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]butane-1,2,4-triol

Drug info:

PubChemData

Smile

CC(C)(C)O[C@H]1CN2[C@H]([C@@H]1OC(C)(C)C)[C@@H]3[C@H](O2)COC3O

DOS

IR

Vibrations