Geometry & MOs

Info

ID:

401998

PubChem CID:

135053765

Reduced:

SnO3C23H40 (1)

Stoich.:

AB3C23D40 (1)

Weight, g/mol:

734.3421

ΔHf, kcal/mol:

-111.08

Dipole, Da:

2.12

IP(EA), eV:

-9.78(-0.05)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[5-[(Z)-[(7R)-8-benzyl-4-oxo-7-[tri(propan-2-yl)silyloxymethyl]-3,8-diazabicyclo[3.2.1]octan-2-ylidene]methyl]-2,4-dimethoxy-3-methylphenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)/C(=C\CC#CCO)/C(=C/C(=O)OC)/C

DOS

IR

Vibrations