Geometry & MOs

Info

ID:

321385

PubChem CID:

126665938

Reduced:

SF4O4N5C39H45 (1)

Stoich.:

AB4C4D5E39F45 (1)

Weight, g/mol:

395.203134

ΔHf, kcal/mol:

-272.33

Dipole, Da:

7.03

IP(EA), eV:

 -8.56(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(R)-N-[1-(3-aminophenyl)-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)C(CCC4CC4)(C5=CC=CC=C5)N[S@](=O)C(C)(C)C)F

DOS

IR

Vibrations