Geometry & MOs

Info

ID:	440677
PubChem CID:	135230903
Reduced:	ClSN6C20H25 (1)
Stoich.:	ABC6D20E25 (1)
Weight, g/mol:	425.084387
ΔH_f, kcal/mol:	62.09
Dipole, Da:	5.7
IP(EA), eV:	-8.66(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-8-[6-amino-5-(2,3-dichloropyridin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-3-ol

Drug info:

PubChemData

Smile

C=C[C@H]1CCC2(C1)CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)N)Cl

DOS

IR

Vibrations