Geometry & MOs

Info

ID:	45163
PubChem CID:	10508604
Reduced:	O8N10C29H48 (1)
Stoich.:	A8B10C29D48 (1)
Weight, g/mol:	332.272673
ΔH_f, kcal/mol:	-192.43
Dipole, Da:	2.67
IP(EA), eV:	-9.68(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (9S,10R)-10-fluoro-9-hydroxyoctadecanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C[C@H](NC(=O)CCCCCCCCN=C(N)N[N+](=O)[O-])NC(=O)CCCCCCCN=C(N)N[N+](=O)[O-]

DOS

IR

Vibrations