Geometry & MOs

Info

ID:	178780
PubChem CID:	76381247
Reduced:	NSO4C14H27 (1)
Stoich.:	ABC4D14E27 (1)
Weight, g/mol:	440.283907
ΔH_f, kcal/mol:	-221.32
Dipole, Da:	3.83
IP(EA), eV:	-9.45(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(5-pentylpyrimidin-2-yl)phenyl]cyclohexyl] 2-fluoro-3-methylpentanoate

Drug info:

PubChemData

Smile

CCCCCCCC(C(=O)OCC)SCC(C(=O)O)N

DOS

IR

Vibrations