Geometry & MOs

Info

ID:	382113
PubChem CID:	134973055
Reduced:	NO8C12H21 (1)
Stoich.:	AB8C12D21 (1)
Weight, g/mol:	402.175064
ΔH_f, kcal/mol:	-382.08
Dipole, Da:	8.83
IP(EA), eV:	-10.18(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4R,5R)-5-acetamido-4-azido-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methoxyoxane-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@](OC([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)(C(=O)O)O

DOS

IR

Vibrations