Geometry & MOs

Info

ID:	364
PubChem CID:	2658
Reduced:	SN4O8H15C16 (1)
Stoich.:	AB4C8D15E16 (1)
Weight, g/mol:	423.06106
ΔH_f, kcal/mol:	-170.51
Dipole, Da:	5.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.808568
Charge, e:	-1

Chem-info

IUPAC name:

3-(carbamoyloxymethyl)-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

CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)[O-]

DOS

IR

Vibrations