Geometry & MOs

Info

ID:	312581
PubChem CID:	126606556
Reduced:	BrOC8H13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	333.172228
ΔH_f, kcal/mol:	-24.28
Dipole, Da:	4.27
IP(EA), eV:	-10.18(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4S)-4-hydroxy-6-(N-methyl-N-propylcarbamimidoyl)sulfanyloxan-2-yl]methyl N-ethylcarbamate

Drug info:

PubChemData

Smile

C[C@@](CC(C)(C)Br)(C#C)O

DOS

IR

Vibrations