Geometry & MOs

Info

ID:	188331
PubChem CID:	77700622
Reduced:	SF2N2O7C32H42 (1)
Stoich.:	AB2C2D7E32F42 (1)
Weight, g/mol:	320.140593
ΔH_f, kcal/mol:	-368.48
Dipole, Da:	2.98
IP(EA), eV:	-8.75(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-butoxyethylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

Drug info:

PubChemData

Smile

CCCN(C1=NC2C(C(C(OC2S1)C(C)(F)F)OCC3=CC=C(C=C3)OC)OCC4=CC=C(C=C4)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations