Geometry & MOs

Info

ID:	15217
PubChem CID:	433560
Reduced:	BrN3O9C17H22 (1)
Stoich.:	AB3C9D17E22 (1)
Weight, g/mol:	491.05394
ΔH_f, kcal/mol:	-353.6
Dipole, Da:	3.51
IP(EA), eV:	-10.23(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[5-(bromomethyl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)N2C(=NC=N2)CBr)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations