Geometry & MOs

Info

ID:	148236
PubChem CID:	53787898
Reduced:	N2O6H28C29 (1)
Stoich.:	A2B6C28D29 (1)
Weight, g/mol:	551.96745
ΔH_f, kcal/mol:	-143.8
Dipole, Da:	4.92
IP(EA), eV:	-9.27(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3-(3-iodophenyl)sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3CC(C3=O)NC(=O)COC4=CC=CC=C4)CO

DOS

IR

Vibrations