Geometry & MOs

Info

ID:	216068
PubChem CID:	85085665
Reduced:	SO3H10C11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-45.58
Dipole, Da:	4.81
IP(EA), eV:	-8.91(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12,15-dioxatetracyclo[8.2.2.16,9.01,6]pentadecan-11-one

Drug info:

PubChemData

Smile

CSC(=O)C(=CC=C)C(=O)C1=CC=CO1

DOS

IR

Vibrations