Geometry & MOs

Info

ID:	436156
PubChem CID:	135194181
Reduced:	SN3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	381.223869
ΔH_f, kcal/mol:	34.66
Dipole, Da:	3.9
IP(EA), eV:	-8.62(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-methyl-8-[5-(2-propan-2-ylphenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

C[C@@H]1CCCC12CCN(CC2)C3=CN=C(C=N3)SC4=CC=CC=C4C

DOS

IR

Vibrations