Geometry & MOs

Info

ID:	222459
PubChem CID:	85300781
Reduced:	O3H20C22 (1)
Stoich.:	A3B20C22 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-62.78
Dipole, Da:	2.21
IP(EA), eV:	-8.36(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-hydroxy-5-methyl-8-oxo-2-phenyl-1,4-diazabicyclo[4.2.0]octane-4-carboxylate

Drug info:

PubChemData

Smile

CC1(C2C(C3=C(O1)C=CC(=C3)OC)OC4=C2C5=CC=CC=C5C=C4)C

DOS

IR

Vibrations