Geometry & MOs

Info

ID:	311771
PubChem CID:	126597664
Reduced:	FO3N6H17C19 (1)
Stoich.:	AB3C6D17E19 (1)
Weight, g/mol:	333.135842
ΔH_f, kcal/mol:	-28.28
Dipole, Da:	2.85
IP(EA), eV:	-8.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-(propylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]methyl-ethylcarbamic acid

Drug info:

PubChemData

Smile

CC1(COC1)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)F)C

DOS

IR

Vibrations