Geometry & MOs

Info

ID:	436153
PubChem CID:	135194174
Reduced:	SN3C24H33 (1)
Stoich.:	AB3C24D33 (1)
Weight, g/mol:	407.098974
ΔH_f, kcal/mol:	23.59
Dipole, Da:	6.21
IP(EA), eV:	-8.14(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-8-[5-(2,3-dichlorophenyl)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(=C4)C(C)(C)C

DOS

IR

Vibrations