Geometry & MOs

Info

ID:

392434

PubChem CID:

135016206

Reduced:

O15C47H68 (1)

Stoich.:

A15B47C68 (1)

Weight, g/mol:

366.222636

ΔHf, kcal/mol:

-696.87

Dipole, Da:

4.61

IP(EA), eV:

 -9.26(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R,2aS,4aS,7aS,7bR)-2a-[tert-butyl(dimethyl)silyl]oxy-7b-methyl-5-oxo-1,2,3,4,4a,6,7,7a-octahydrocyclobuta[e]indene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)CCC(C)C)[C@]1([C@H](CC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)OC5C(C(C(CO5)O)OC6C(C(C(CO6)O)O)OC(=O)C7=CC=C(C=C7)OC)OC(=O)C)O

DOS

IR

Vibrations