Geometry & MOs

Info

ID:	436148
PubChem CID:	135194148
Reduced:	SCl2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	439.100037
ΔH_f, kcal/mol:	48.9
Dipole, Da:	10.92
IP(EA), eV:	-8.76(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2(C1)CCN(CC2)C3=CN=C(C=N3)SC4=C(C(=NC=C4)Cl)Cl)N

DOS

IR

Vibrations