Geometry & MOs

Info

ID:	392557
PubChem CID:	135017153
Reduced:	NO6C18H29 (1)
Stoich.:	AB6C18D29 (1)
Weight, g/mol:	313.152537
ΔH_f, kcal/mol:	-273.83
Dipole, Da:	4.04
IP(EA), eV:	-9.9(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S,4R,6R,9R)-9-tert-butyl-4-(hydroxymethyl)-7-oxo-3,10-dioxa-8-azatricyclo[6.3.0.02,6]undecane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](CCC=C)C(=O)N1[C@@H](CO[C@@H]1C(C)(C)C)C(=O)OC

DOS

IR

Vibrations