Geometry & MOs

Info

ID:	312577
PubChem CID:	126606549
Reduced:	SO3N5C9H15 (1)
Stoich.:	AB3C5D9E15 (1)
Weight, g/mol:	301.146013
ΔH_f, kcal/mol:	-48.79
Dipole, Da:	4.37
IP(EA), eV:	-9.48(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=N[C@@H]2[C@H]([C@@H](C(O[C@@H]2S1)CN=[N+]=[N-])O)O

DOS

IR

Vibrations