Geometry & MOs

Info

ID:	159035
PubChem CID:	57244619
Reduced:	NS2O6C22H33 (1)
Stoich.:	AB2C6D22E33 (1)
Weight, g/mol:	290.188195
ΔH_f, kcal/mol:	-252.96
Dipole, Da:	6.8
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,3bR,9aR,9bR,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydronaphtho[6,5-e][1]benzofuran-6,7-dione

Drug info:

PubChemData

Smile

CS(=O)(=O)CCC1(C(OC2=CC=CC=C2C1=O)CCN3CCCCC3)CCS(=O)(=O)C

DOS

IR

Vibrations