Geometry & MOs

Info

ID:	395898
PubChem CID:	135026856
Reduced:	FNO3C27H42 (1)
Stoich.:	ABC3D27E42 (1)
Weight, g/mol:	639.411914
ΔH_f, kcal/mol:	-209.86
Dipole, Da:	3.17
IP(EA), eV:	-9.86(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[[(E)-2-fluorooctadec-3-enoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC/C=C/C(C(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC)F

DOS

IR

Vibrations