Geometry & MOs

Info

ID:	15458
PubChem CID:	442256
Reduced:	O4C15H18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-151.16
Dipole, Da:	6.41
IP(EA), eV:	-10.07(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S,6aR,9S,9aR,9bR)-4-hydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8-dione

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H]([C@@H]3[C@@H]2OC(=O)C3=C)O

DOS

IR

Vibrations