Geometry & MOs

Info

ID:	395897
PubChem CID:	135026855
Reduced:	FNO3C24H44 (1)
Stoich.:	ABC3D24E44 (1)
Weight, g/mol:	447.314872
ΔH_f, kcal/mol:	-254.65
Dipole, Da:	2.93
IP(EA), eV:	-10.04(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(E)-2-fluorooctadec-3-enoyl]amino]-2-phenylacetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC/C=C/C(C(=O)N[C@@H](C(C)C)C(=O)OC)F

DOS

IR

Vibrations