Geometry & MOs

Info

ID:	401229
PubChem CID:	135050651
Reduced:	NSO3C11H21 (1)
Stoich.:	ABC3D11E21 (1)
Weight, g/mol:	280.167459
ΔH_f, kcal/mol:	-130.21
Dipole, Da:	5.79
IP(EA), eV:	-10.01(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6S,7R,7aS)-5,6-dimethyl-7-(oxan-2-yloxymethyl)-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](/C(=N/OS(=O)(=O)C)/C1)C(C)C

DOS

IR

Vibrations