Geometry & MOs

Info

ID:	385759
PubChem CID:	134979915
Reduced:	O4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	298.12365
ΔH_f, kcal/mol:	-182.83
Dipole, Da:	4.84
IP(EA), eV:	-9.91(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,3aS,7aS)-3-methyl-1-oxo-5-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC[C@H]2[C@@H](C1C(=O)OC)[C@@H](OC2=O)C

DOS

IR

Vibrations