Geometry & MOs

Info

ID:	448857
PubChem CID:	135294112
Reduced:	FO2N5C20H26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	527.317078
ΔH_f, kcal/mol:	-61.05
Dipole, Da:	4.11
IP(EA), eV:	-8.66(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,1-difluoro-2-hexadecoxy-2-hydroxyethoxy)-3-(1,3-oxazol-2-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C(=O)NC2CNC2)/C(=C/C=C(/C(=O)NCC3CC3)\N)/N

DOS

IR

Vibrations