Geometry & MOs

Info

ID:	312570
PubChem CID:	126606539
Reduced:	SN3O3C13H25 (1)
Stoich.:	AB3C3D13E25 (1)
Weight, g/mol:	262.098728
ΔH_f, kcal/mol:	-127.32
Dipole, Da:	4.27
IP(EA), eV:	-8.96(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN=C(N)S[C@@H]1CC([C@@H](C(O1)CNC2CCC2)O)O

DOS

IR

Vibrations