Geometry & MOs

Info

ID:	312575
PubChem CID:	126606547
Reduced:	SN3O4C11H23 (1)
Stoich.:	AB3C4D11E23 (1)
Weight, g/mol:	247.099063
ΔH_f, kcal/mol:	-176.04
Dipole, Da:	4.08
IP(EA), eV:	-9.05(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN=C(N)S[C@@H]1CC([C@@H](C(O1)CNCCCO)O)O

DOS

IR

Vibrations