Geometry & MOs

Info

ID:	436600
PubChem CID:	135205945
Reduced:	ON5H19C21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	444.23727
ΔH_f, kcal/mol:	70.38
Dipole, Da:	4.18
IP(EA), eV:	-8.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[3-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

C1CC(N(C1)C#N)C(=O)N2CCC3=C(C=CC=C32)C4=CNC5=C4C=CC=N5

DOS

IR

Vibrations