Geometry & MOs

Info

ID:

323375

PubChem CID:

126674629

Reduced:

F3N5O6C25H30 (1)

Stoich.:

A3B5C6D25E30 (1)

Weight, g/mol:

514.293054

ΔHf, kcal/mol:

-342.17

Dipole, Da:

3.73

IP(EA), eV:

 -9.01(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(5aR,6R,9aR,11aS)-1-[(1S)-1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5a,9a,11a-trimethyl-9-oxo-1,2,3,3a,3b,4,6,9b,10,11-decahydroindeno[4,5-c]chromen-6-yl] acetate

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)NC2=C(C=CC(=C2)OC(F)(F)F)OC3COC3)OC4=NC(=NC=C4)N5CCOCC5

DOS

IR

Vibrations