Geometry & MOs

Info

ID:

185635

PubChem CID:

77323958

Reduced:

ClO2F3N3C21H23 (1)

Stoich.:

AB2C3D3E21F23 (1)

Weight, g/mol:

523.333145

ΔHf, kcal/mol:

-209.85

Dipole, Da:

6.78

IP(EA), eV:

 -9.46(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-5-oxo-2,3,3a,5a,6,7,8,9,10,11-decahydro-1H-indeno[4,5-c]isochromen-7-yl]oxy]ethyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1C(NC2CCC(CC2C1=O)Cl)C3=CN(N=C3)CC4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations