Geometry & MOs

Info

ID:	45743
PubChem CID:	10517240
Reduced:	NO6C13H19 (1)
Stoich.:	AB6C13D19 (1)
Weight, g/mol:	285.157623
ΔH_f, kcal/mol:	-263.66
Dipole, Da:	8.02
IP(EA), eV:	-10.19(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(6R,7S,7aS)-6-(1-hydroxyethyl)-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-7-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@H]2[C@H]([C@@H]2C(=O)OC)[C@H]1C(=O)O

DOS

IR

Vibrations