Geometry & MOs

Info

ID:	438592
PubChem CID:	135228336
Reduced:	ClFOS2N6C22H30 (1)
Stoich.:	ABCD2E6F22G30 (1)
Weight, g/mol:	423.170451
ΔH_f, kcal/mol:	-37.39
Dipole, Da:	9.2
IP(EA), eV:	-8.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3R)-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)N[C@@H]1CCCC12CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)F)Cl

DOS

IR

Vibrations