Geometry & MOs

Info

ID:	448062
PubChem CID:	135288104
Reduced:	OC9H9F11 (1)
Stoich.:	AB9C9D11 (1)
Weight, g/mol:	484.174454
ΔH_f, kcal/mol:	-614.1
Dipole, Da:	3.19
IP(EA), eV:	-10.2(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[(1R,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]pyridin-2-yl]propane-2-sulfonamide

Drug info:

PubChemData

Smile

CCOCCC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F

DOS

IR

Vibrations