Geometry & MOs

Info

ID:	401098
PubChem CID:	135050113
Reduced:	LiOC8H13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	510.07367
ΔH_f, kcal/mol:	-7.48
Dipole, Da:	6.33
IP(EA), eV:	-7.06(2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,6R)-4-acetyloxy-5,5,6-tris(acetyloxymethyl)-2-bromooxan-3-yl]methyl acetate

Drug info:

PubChemData

Smile

[Li+].CCCCC#C[CH-]OC

DOS

IR

Vibrations