Geometry & MOs

Info

ID:	312576
PubChem CID:	126606548
Reduced:	SN3O3C9H17 (1)
Stoich.:	AB3C3D9E17 (1)
Weight, g/mol:	273.089561
ΔH_f, kcal/mol:	-112.85
Dipole, Da:	2.61
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNCC1[C@H](C([C@@H]2[C@H](O1)SC(=N2)NC)O)O

DOS

IR

Vibrations