Geometry & MOs

Info

ID:	128733
PubChem CID:	51055909
Reduced:	ClNO4C6H12 (1)
Stoich.:	ABC4D6E12 (1)
Weight, g/mol:	523.235873
ΔH_f, kcal/mol:	-194.0
Dipole, Da:	7.48
IP(EA), eV:	-9.85(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6S,7R,8R,8aS)-N,2-diphenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-amine

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)[NH3+])O)O.[Cl-]

DOS

IR

Vibrations