Geometry & MOs

Info

ID:	385769
PubChem CID:	134979946
Reduced:	ClOF7H8C11 (1)
Stoich.:	ABC7D8E11 (1)
Weight, g/mol:	260.087101
ΔH_f, kcal/mol:	-377.67
Dipole, Da:	3.87
IP(EA), eV:	-10.71(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,6S,7R,8R)-8-(benzenesulfonyl)tetracyclo[4.3.0.02,4.03,7]nonane

Drug info:

PubChemData

Smile

C1[C@H]2C=C[C@@H]1[C@H]([C@@H]2C(=O)Cl)C(C(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations