Geometry & MOs

Info

ID:	436147
PubChem CID:	135194140
Reduced:	SCl2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	423.105122
ΔH_f, kcal/mol:	36.87
Dipole, Da:	8.75
IP(EA), eV:	-8.7(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-8-[5-(2,3-dichloropyridin-4-yl)sulfanylpyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2(C1)CCN(CC2)C3=CN=C(C=N3)SC4=CC(=NC(=C4Cl)Cl)N)C

DOS

IR

Vibrations