Geometry & MOs

Info

ID:	146637
PubChem CID:	53721606
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	413.039165
ΔH_f, kcal/mol:	-84.0
Dipole, Da:	6.09
IP(EA), eV:	-9.49(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7-[7-(hydroxymethyl)dibenzofuran-3-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)C=CC(=O)O)C(C)C

DOS

IR

Vibrations