Geometry & MOs

Info

ID:	182989
PubChem CID:	76966777
Reduced:	NO2C23H43 (1)
Stoich.:	AB2C23D43 (1)
Weight, g/mol:	730.658759
ΔH_f, kcal/mol:	-145.85
Dipole, Da:	2.74
IP(EA), eV:	-9.55(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-4-ethyl-2-[(Z)-heptadec-8-enyl]-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-ethyl-2-[(Z)-heptadec-8-enyl]-5H-1,3-oxazol-4-yl]methanol

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC1=N[C@@](CO1)(CC)CO

DOS

IR

Vibrations