Geometry & MOs

Info

ID:	218443
PubChem CID:	85089453
Reduced:	FSiN3O4C24H26 (1)
Stoich.:	ABC3D4E24F26 (1)
Weight, g/mol:	467.372307
ΔH_f, kcal/mol:	-181.4
Dipole, Da:	9.29
IP(EA), eV:	-8.67(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-hydroxy-2-(octadecanoylamino)propanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1(CC(=O)OCC2=C1C=C3C4=NC5=C(C(=C(C=C5)N)F)C(=C4CN3C2=O)[Si](C)(C)C)O

DOS

IR

Vibrations