Geometry & MOs

Info

ID:	337598
PubChem CID:	127258221
Reduced:	FN2O4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	177.063722
ΔH_f, kcal/mol:	-211.98
Dipole, Da:	6.74
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanenitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)OC

DOS

IR

Vibrations