Geometry & MOs

Info

ID:	449981
PubChem CID:	135302942
Reduced:	NO2F3H9C11 (2)
Stoich.:	AB2C3D9E11 (2)
Weight, g/mol:	275.071762
ΔH_f, kcal/mol:	-399.07
Dipole, Da:	6.62
IP(EA), eV:	-10.0(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2S,5R)-2-cyano-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl]oxy]-2,2-difluoroacetate

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=CC(=C1)C(C2=CC(=C(C=C2)C=O)C(=O)N(C)C)(C(F)(F)F)C(F)(F)F)C=O

DOS

IR

Vibrations