Geometry & MOs

Info

ID:	385650
PubChem CID:	134979636
Reduced:	SiO4C27H40 (1)
Stoich.:	AB4C27D40 (1)
Weight, g/mol:	312.1393
ΔH_f, kcal/mol:	-213.38
Dipole, Da:	2.96
IP(EA), eV:	-8.77(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=C([C@@H]1O[Si](C)(C)C(C)(C)C)C(=C[C@@H]([C@H]2C(=O)OC)C3=CC=CC=C3)COC)C

DOS

IR

Vibrations