Geometry & MOs

Info

ID:	436152
PubChem CID:	135194162
Reduced:	FSN4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	395.239519
ΔH_f, kcal/mol:	9.01
Dipole, Da:	7.59
IP(EA), eV:	-8.68(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-8-[5-(3-tert-butylphenyl)sulfanylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations