Geometry & MOs

Info

ID:	59735
PubChem CID:	24895134
Reduced:	FO4H15C17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	306.078662
ΔH_f, kcal/mol:	-135.52
Dipole, Da:	3.83
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-phenyl-5-sulfanylidenetetrazolidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)O)OC)F

DOS

IR

Vibrations