Geometry & MOs

Info

ID:	218347
PubChem CID:	85089210
Reduced:	FN3O7C21H28 (1)
Stoich.:	AB3C7D21E28 (1)
Weight, g/mol:	451.104936
ΔH_f, kcal/mol:	-337.76
Dipole, Da:	1.97
IP(EA), eV:	-8.53(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethoxycarbonyl 3-ethyl-7-[[2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

COC1(CCN(CC1)C2=CC=CC=C2F)OC3C(C(OC3N4CCC(=O)NC4=O)CO)O

DOS

IR

Vibrations