Geometry & MOs

Info

ID:

49814

PubChem CID:

11533883

Reduced:

O2N4F5C27H27 (1)

Stoich.:

A2B4C5D27E27 (1)

Weight, g/mol:

534.393377

ΔHf, kcal/mol:

-282.73

Dipole, Da:

6.35

IP(EA), eV:

 -9.28(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1'-methyl-8-[[(3S,4S)-1-(1-methylcyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]methyl]-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2'-one

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNC2CCCC3=C2C=C(C=C3)C4=NC=CC(=N4)C(F)(F)F)O

DOS

IR

Vibrations