Geometry & MOs

Info

ID:	322568
PubChem CID:	126670548
Reduced:	NSO6C15H27 (1)
Stoich.:	ABC6D15E27 (1)
Weight, g/mol:	317.183838
ΔH_f, kcal/mol:	-301.08
Dipole, Da:	4.07
IP(EA), eV:	-8.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-butyl 1-O-tert-butyl (2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@@H]1C[C@](CN1C(=O)OC(C)(C)C)(COS)O

DOS

IR

Vibrations