Geometry & MOs

Info

ID:	305272
PubChem CID:	124767855
Reduced:	O3C22H32 (1)
Stoich.:	A3B22C32 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-156.65
Dipole, Da:	3.94
IP(EA), eV:	-9.85(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,7Z,9aR,9bR)-7-hydroxyimino-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2-one

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)C1=CC=CC=C1)C(=O)O[C@@H]2C[C@H](CC[C@H]2C(C)C)C

DOS

IR

Vibrations