Geometry & MOs

Info

ID:	379303
PubChem CID:	134357603
Reduced:	FN4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	555.250203
ΔH_f, kcal/mol:	-1.13
Dipole, Da:	2.54
IP(EA), eV:	-7.64(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4R)-2,2-dioxo-4-[[(1S,6S)-6-phenylmethoxycarbonyloxycycloundecyl]oxymethyl]oxathiazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)/C(=C\C=C(/N)\F)/NC1=CC2=C(C=C1)C(=CN2)CNC

DOS

IR

Vibrations