Geometry & MOs

Info

ID:	441007
PubChem CID:	135232676
Reduced:	SN4O25C48H74 (1)
Stoich.:	AB4C25D48E74 (1)
Weight, g/mol:	194.060389
ΔH_f, kcal/mol:	-1093.63
Dipole, Da:	6.02
IP(EA), eV:	-9.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(fluoromethyl)pyridin-2-yl]-1,2,4-oxadiazol-3-amine

Drug info:

Smile

CCCCCCC#CCCCOC1=CC=CC(=C1)C(=O)NC2[C@H](C(C(OC2OC3C(OC(C(C3O)NC(=O)C)OC4[C@@H](C(C(OC4CO)OC5C(OC(C(C5O)NC(=O)C)O)COS(=O)(=O)O)NC(=O)C)O)CO)CO)O)O

DOS

IR

Vibrations