Geometry & MOs

Info

ID:	423003
PubChem CID:	135118751
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	373.171165
ΔH_f, kcal/mol:	-116.6
Dipole, Da:	4.8
IP(EA), eV:	-10.04(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC(=O)CCO)CC2=CC=NC=C2

DOS

IR

Vibrations