Geometry & MOs

Info

ID:	437168
PubChem CID:	135215467
Reduced:	OH22C30 (1)
Stoich.:	AB22C30 (1)
Weight, g/mol:	309.088019
ΔH_f, kcal/mol:	70.89
Dipole, Da:	4.45
IP(EA), eV:	-8.85(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,2S,5S)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride

Drug info:

PubChemData

Smile

CC(=C)C1=CC2=C(C=C1)C3=CC=CC=C3[C@]24C5=CC=CC=C5C6=C4C=C(C=C6)C(=O)C

DOS

IR

Vibrations