Geometry & MOs

Info

ID:	379121
PubChem CID:	134352547
Reduced:	FN3O5C12H16 (1)
Stoich.:	AB3C5D12E16 (1)
Weight, g/mol:	301.107399
ΔH_f, kcal/mol:	-199.32
Dipole, Da:	2.54
IP(EA), eV:	-10.08(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]-2-fluoroacetate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](ON1[C@H]2CN(C1=O)[C@@H](C(=C2)C)C(=O)N)F

DOS

IR

Vibrations