Geometry & MOs

Info

ID:	391830
PubChem CID:	135010017
Reduced:	O5N6C22H32 (1)
Stoich.:	A5B6C22D32 (1)
Weight, g/mol:	228.116173
ΔH_f, kcal/mol:	-214.63
Dipole, Da:	8.75
IP(EA), eV:	-9.71(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-fluoro-2-oxocyclooctane-1-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)NCCC(=O)NC1)C(=O)N)CC2=CC=CC=C2)N

DOS

IR

Vibrations