Geometry & MOs

Info

ID:	436155
PubChem CID:	135194178
Reduced:	SF3N3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	353.192569
ΔH_f, kcal/mol:	-119.1
Dipole, Da:	6.94
IP(EA), eV:	-8.56(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-methyl-8-[5-(2-methylphenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

C[C@@H]1CCCC12CCN(CC2)C3=CN=C(C=N3)SC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations