Geometry & MOs

Info

ID:	419089
PubChem CID:	135107459
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	-86.34
Dipole, Da:	6.57
IP(EA), eV:	-8.65(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-4a-(3,6-dihydro-2H-pyran-4-yl)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[4,3-b]pyridine

Drug info:

PubChemData

Smile

CN1CC[C@]2(CCCN([C@@H]2C1)C(=O)C3=CN=C4C=CC=CN4C3=O)CO

DOS

IR

Vibrations