Geometry & MOs

Info

ID:

190985

PubChem CID:

78090903

Reduced:

NSiO7C38H59 (1)

Stoich.:

ABC7D38E59 (1)

Weight, g/mol:

777.409451

ΔHf, kcal/mol:

-308.34

Dipole, Da:

4.79

IP(EA), eV:

 -8.32(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-[3-[(3,4-dimethoxyphenyl)methoxy]propoxy]-2-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-2-phenylsulfanyl-1,5,6,7-tetrahydropyrrolizin-3-one

Drug info:

PubChemData

Smile

CC1C=CC2CCCCC2C1C(=O)C3CC4(C(CCN4C3=O)CO[Si](C)(C)C(C)(C)C)OCCCOCC5=CC(=C(C=C5)OC)OC

DOS

IR

Vibrations