Geometry & MOs

Info

ID:	80775
PubChem CID:	49836679
Reduced:	O5C10H18 (2)
Stoich.:	A5B10C18 (2)
Weight, g/mol:	299.220892
ΔH_f, kcal/mol:	-417.59
Dipole, Da:	1.57
IP(EA), eV:	-9.26(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2S)-2-amino-3-methylbutyl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC[C@]12[C@H]([C@@H]([C@@H]([C@H](O1)C[C@@H]3[C@@H](CO2)O[C@@H]([C@@H]([C@H]3OC)OC)OC)OC)OC)OC

DOS

IR

Vibrations