Geometry & MOs

Info

ID:	423874
PubChem CID:	135120565
Reduced:	SO3N5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-50.95
Dipole, Da:	7.18
IP(EA), eV:	-9.69(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@H]1C(=O)N2CC3=CSC=N3)CC4=C(NN=C4)C(=O)O

DOS

IR

Vibrations