Geometry & MOs

Info

ID:	186684
PubChem CID:	77467439
Reduced:	SN2O7C13H18 (1)
Stoich.:	AB2C7D13E18 (1)
Weight, g/mol:	372.135508
ΔH_f, kcal/mol:	-289.61
Dipole, Da:	1.89
IP(EA), eV:	-9.47(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-acetyloxy-2-(2-cyclopropylethylamino)-6-hydroxy-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C2C(O1)SC(=N2)N)OC(=O)C)OC(=O)C

DOS

IR

Vibrations