Geometry & MOs

Info

ID:

46828

PubChem CID:

10527674

Reduced:

SSiO2F3N3C20H22 (1)

Stoich.:

ABC2D3E3F20G22 (1)

Weight, g/mol:

453.272653

ΔHf, kcal/mol:

-185.18

Dipole, Da:

7.7

IP(EA), eV:

 -10.0(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] N-propylcarbamate

Drug info:

PubChemData

Smile

C[Si](C)(C)CCS(=O)(=O)C1=CC=C(C=C1)N2C=C(N=C2C3=CN=CC=C3)C(F)(F)F

DOS

IR

Vibrations