Geometry & MOs

Info

ID:	127699
PubChem CID:	51012080
Reduced:	NF2O2C19H25 (1)
Stoich.:	AB2C2D19E25 (1)
Weight, g/mol:	463.199488
ΔH_f, kcal/mol:	-172.48
Dipole, Da:	5.15
IP(EA), eV:	-8.94(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-O-benzyl 7-O-tert-butyl (1S,3S,5S,7S)-3-benzoyl-8-oxo-6-azabicyclo[3.2.1]octane-6,7-dicarboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CN[C@H]2C[C@@H]3C[C@H]2[C@H]4[C@H]3CCC4)OC(F)F

DOS

IR

Vibrations