Geometry & MOs

Info

ID:	436150
PubChem CID:	135194157
Reduced:	SN4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	375.158075
ΔH_f, kcal/mol:	39.44
Dipole, Da:	4.77
IP(EA), eV:	-8.26(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-8-[5-(2,3-difluorophenyl)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=CC=CC=C4N

DOS

IR

Vibrations