Geometry & MOs

Info

ID:	392519
PubChem CID:	135017019
Reduced:	O5H18C20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	481.04846
ΔH_f, kcal/mol:	-148.37
Dipole, Da:	3.18
IP(EA), eV:	-10.04(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5R)-3,4-diacetyloxy-5-(5-bromo-4-phenyltriazol-1-yl)oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@H](C2=CC=CC=C2C1=O)O)CC(=O)C3=CC=CC=C3

DOS

IR

Vibrations