Geometry & MOs

Info

ID:	312558
PubChem CID:	126606515
Reduced:	OPF2H11C17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	218.072513
ΔH_f, kcal/mol:	47.06
Dipole, Da:	3.73
IP(EA), eV:	-8.93(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R,6S,7R,7aR)-5-methyl-2-(methylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

Drug info:

PubChemData

Smile

C=C1C(=CC2=CC#CC=C2O1)C3=CC=CC=C3C(F)(F)P

DOS

IR

Vibrations