Geometry & MOs

Info

ID:	436149
PubChem CID:	135194152
Reduced:	OSCl2N5C19H23 (1)
Stoich.:	ABC2D5E19F23 (1)
Weight, g/mol:	354.187818
ΔH_f, kcal/mol:	8.07
Dipole, Da:	8.21
IP(EA), eV:	-8.79(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylaniline

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](CC2([C@@H]1N)CCN(CC2)C3=CN=C(C=N3)SC4=C(C(=NC=C4)Cl)Cl)O

DOS

IR

Vibrations