Geometry & MOs

Info

ID:

431716

PubChem CID:

135171812

Reduced:

SO2F3N4C23H33 (1)

Stoich.:

AB2C3D4E23F33 (1)

Weight, g/mol:

601.571028

ΔHf, kcal/mol:

-219.85

Dipole, Da:

6.37

IP(EA), eV:

 -8.76(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,5-ditert-butyl-6-[2-[3-tert-butyl-4-[2-(1-tert-butyl-4-fluoropyrrolidin-2-yl)-2-methylpropyl]-3-azabicyclo[3.1.0]hexan-2-yl]-2-methylpropyl]-5-azaspiro[2.4]heptane

Drug info:

PubChemData

Smile

CCC(CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)CC(C)C)NC2=NC(=NS2)C(F)(F)F

DOS

IR

Vibrations