Geometry & MOs

Info

ID:	312573
PubChem CID:	126606542
Reduced:	FSO3N4C10H19 (1)
Stoich.:	ABC3D4E10F19 (1)
Weight, g/mol:	189.136493
ΔH_f, kcal/mol:	-81.37
Dipole, Da:	2.81
IP(EA), eV:	-9.11(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-(propylaminomethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

CNN(F)S1([C@H]2[C@@H]1OC([C@H](C2O)O)CNCC#N)C

DOS

IR

Vibrations