Geometry & MOs

Info

ID:	79947
PubChem CID:	49831686
Reduced:	OC16H26 (1)
Stoich.:	AB16C26 (1)
Weight, g/mol:	469.137281
ΔH_f, kcal/mol:	-75.34
Dipole, Da:	3.77
IP(EA), eV:	-9.09(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S,5S,6S)-4,5-diacetyloxy-6-[(5-oxochromeno[2,3-b]pyridin-2-yl)methyl]oxan-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C([C@@]1(C)CC=O)CCCC2(C)C

DOS

IR

Vibrations