Geometry & MOs

Info

ID:

190986

PubChem CID:

78090904

Reduced:

NSSiO7C44H63 (1)

Stoich.:

ABCD7E44F63 (1)

Weight, g/mol:

565.249809

ΔHf, kcal/mol:

-273.17

Dipole, Da:

4.94

IP(EA), eV:

 -8.21(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-8-(3-oxopropoxy)-6-phenylsulfanyl-1,2,3,7-tetrahydropyrrolizine-1-carboxylate

Drug info:

PubChemData

Smile

CC1C=CC2CCCCC2C1C(=O)C3(CC4(C(CCN4C3=O)CO[Si](C)(C)C(C)(C)C)OCCCOCC5=CC(=C(C=C5)OC)OC)SC6=CC=CC=C6

DOS

IR

Vibrations