Geometry & MOs

Info

ID:	436154
PubChem CID:	135194177
Reduced:	SCl2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	407.164303
ΔH_f, kcal/mol:	36.61
Dipole, Da:	5.87
IP(EA), eV:	-8.66(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCC12CCN(CC2)C3=CN=C(C=N3)SC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations