Geometry & MOs

Info

ID:	216765
PubChem CID:	85086742
Reduced:	FON4C16H17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	300.157288
ΔH_f, kcal/mol:	-9.86
Dipole, Da:	2.79
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3-dihydroxy-3-(5-oxo-2H-furan-3-yl)propyl] octanoate

Drug info:

PubChemData

Smile

C1CN2CC1C(C2)NC(=O)N3C=C(C=N3)C4=CC(=CC=C4)F

DOS

IR

Vibrations