Geometry & MOs

Info

ID:	151015
PubChem CID:	53790712
Reduced:	N7H9C10 (1)
Stoich.:	A7B9C10 (1)
Weight, g/mol:	440.1139
ΔH_f, kcal/mol:	161.19
Dipole, Da:	4.72
IP(EA), eV:	-9.88(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (6S,7S)-3-chloro-8-oxo-7-[(2-phenoxyacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)N=CC(C#N)C2=NNN=N2

DOS

IR

Vibrations