Geometry & MOs

Info

ID:	160683
PubChem CID:	57389434
Reduced:	SO6N7C29H35 (1)
Stoich.:	AB6C7D29E35 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-150.05
Dipole, Da:	7.55
IP(EA), eV:	-8.83(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C.CCS(=O)(=O)O

DOS

IR

Vibrations