Geometry & MOs

Info

ID:	403618
PubChem CID:	135061048
Reduced:	S2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	276.089878
ΔH_f, kcal/mol:	-74.41
Dipole, Da:	4.1
IP(EA), eV:	-8.3(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-benzyl-11-oxo-1-aza-8-azoniatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-9-olate

Drug info:

PubChemData

Smile

CCO[C@@H](C(C)C)C([S@@](=O)C1=CC=C(C=C1)C)[S@@](=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations