Geometry & MOs

Info

ID:	46858
PubChem CID:	10527938
Reduced:	NOC31H57 (1)
Stoich.:	ABC31D57 (1)
Weight, g/mol:	460.158076
ΔH_f, kcal/mol:	-145.05
Dipole, Da:	4.82
IP(EA), eV:	-8.65(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S)-1-methoxy-2-methylidene-3-oxobutoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C=C1C)CCCCCCC)C

DOS

IR

Vibrations