Geometry & MOs

Info

ID:	449987
PubChem CID:	135302991
Reduced:	NO2F3H6C10 (2)
Stoich.:	AB2C3D6E10 (2)
Weight, g/mol:	407.150406
ΔH_f, kcal/mol:	-399.69
Dipole, Da:	3.42
IP(EA), eV:	-10.39(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(methoxymethyl)oxan-4-yl] 2-[[(2S,5R)-2-carbamoyl-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=CC3=C(C=C2)C(=O)NC3=O)(C(F)(F)F)C(F)(F)F)C=O

DOS

IR

Vibrations