Geometry & MOs

Info

ID:	48303
PubChem CID:	10538766
Reduced:	O2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	-43.18
Dipole, Da:	4.67
IP(EA), eV:	-9.68(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aS,6S,6aR,9S,9aS,9bR)-9-hydroxy-3,6,9a-trimethyl-3,3a,4,5,6,6a,7,8,9,9b-decahydroazuleno[4,5-b]furan-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H]([C@@H](OC1=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations