Geometry & MOs

Info

ID:	438593
PubChem CID:	135228337
Reduced:	SF3N5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	423.170451
ΔH_f, kcal/mol:	-113.36
Dipole, Da:	9.17
IP(EA), eV:	-8.74(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1CCC2(C1)CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(N=CC=C4)C(F)(F)F

DOS

IR

Vibrations