Geometry & MOs

Info

ID:	382543
PubChem CID:	134973770
Reduced:	O5H10C12 (1)
Stoich.:	A5B10C12 (1)
Weight, g/mol:	233.05105
ΔH_f, kcal/mol:	-179.73
Dipole, Da:	8.23
IP(EA), eV:	-10.72(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8lambda6-thia-9-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene 8,8-dioxide

Drug info:

PubChemData

Smile

C1COC(=O)C1C2(C3=CC=CC=C3C(=O)O2)O

DOS

IR

Vibrations