Geometry & MOs

Info

ID:	179461
PubChem CID:	76486085
Reduced:	O4N5H33C36 (1)
Stoich.:	A4B5C33D36 (1)
Weight, g/mol:	347.082744
ΔH_f, kcal/mol:	-21.77
Dipole, Da:	6.09
IP(EA), eV:	-9.44(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-benzoyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)oxy]ethyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)CC(=O)C(C(N)N)C(=O)C(C2=CC=CC=C2)C3=CC=CC=N3)NC(=O)C4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations