Geometry & MOs

Info

ID:	376453
PubChem CID:	134222467
Reduced:	FSO2N6H33C34 (1)
Stoich.:	ABC2D6E33F34 (1)
Weight, g/mol:	166.135765
ΔH_f, kcal/mol:	-0.88
Dipole, Da:	9.7
IP(EA), eV:	-8.74(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-4-oxatricyclo[5.2.1.02,6]decane

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C3=CN=NC=C3)CC(=O)N4C[C@@H](C[C@H]4CNC5=NC(=CS5)C6=CC7=C(CCCC7)C=C6)F

DOS

IR

Vibrations