Geometry & MOs

Info

ID:

402444

PubChem CID:

135055983

Reduced:

CoSiO3C30H42 (1)

Stoich.:

ABC3D30E42 (1)

Weight, g/mol:

426.191974

ΔHf, kcal/mol:

-85.23

Dipole, Da:

20.33

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.199512

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6S,7S,8R,9S)-7-hydroxy-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-5-azatricyclo[6.3.1.01,5]dodecan-9-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

[CH3-].C[C@]12CC(=C3C(=C1CC[C@@H]2OCOC)CCC4=C3C=CC(=C4)OC)[Si](C)(C)C.C1=C[CH]C=C1.[Co]

DOS

IR

Vibrations