Geometry & MOs

Info

ID:	392404
PubChem CID:	135015451
Reduced:	O2C7H7 (4)
Stoich.:	A2B7C7 (4)
Weight, g/mol:	359.038292
ΔH_f, kcal/mol:	-262.99
Dipole, Da:	4.73
IP(EA), eV:	-9.34(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-oxo-5-phenyl-8-thia-2-azatricyclo[7.4.0.02,5]trideca-1(13),9,11-triene-7-carboxylic acid

Drug info:

PubChemData

Smile

CO[C@@H]1C(C([C@@H](C(O1)COCC2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations