Geometry & MOs

Info

ID:	218537
PubChem CID:	85089588
Reduced:	O5C12H15 (2)
Stoich.:	A5B12C15 (2)
Weight, g/mol:	478.119858
ΔH_f, kcal/mol:	-442.79
Dipole, Da:	7.91
IP(EA), eV:	-9.26(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-oxo-3-(3-oxo-3-phenylprop-1-enyl)-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC(CO)C1=C(C2=C(C(=C1O)O)C3(CC(CC(C3=C(C2=O)O)(C)C)OC(=O)C)C)O

DOS

IR

Vibrations