Geometry & MOs

Info

ID:

418225

PubChem CID:

135103899

Reduced:

SF3O5N7C36H44 (1)

Stoich.:

AB3C5D7E36F44 (1)

Weight, g/mol:

287.236148

ΔHf, kcal/mol:

-309.54

Dipole, Da:

8.3

IP(EA), eV:

 -9.32(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aS,6aR)-2-N,2-N,5-N-trimethyl-5-N-[(5-methylpyridin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)CC4=CC(=CC=C4)C(F)(F)F)C)C)C(C)C

DOS

IR

Vibrations