Geometry & MOs

Info

ID:	382317
PubChem CID:	134973395
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	355.069888
ΔH_f, kcal/mol:	-161.9
Dipole, Da:	7.67
IP(EA), eV:	-9.64(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6R)-5-acetyloxy-4-azido-2-(azidomethyl)-6-isothiocyanatooxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C2=NC3=C(O2)CCCC3=O

DOS

IR

Vibrations