Geometry & MOs

Info

ID:	45623
PubChem CID:	10515728
Reduced:	O5C14H16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-174.29
Dipole, Da:	4.78
IP(EA), eV:	-9.76(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R,5E,9E,11aR)-4-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@H]([C@H]2CO[C@@H]1O2)OCC3=CC=CC=C3

DOS

IR

Vibrations