Geometry & MOs

Info

ID:	447182
PubChem CID:	135280987
Reduced:	NC17H19 (1)
Stoich.:	AB17C19 (1)
Weight, g/mol:	429.134756
ΔH_f, kcal/mol:	48.18
Dipole, Da:	3.82
IP(EA), eV:	-9.0(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,2-difluoro-2-[[4-(1,2-oxazol-4-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetyl]oxyethyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1CC2(C1)CC/C(=C\CCC#N)/C3=CC=CC=C23

DOS

IR

Vibrations