Geometry & MOs

Info

ID:	435925
PubChem CID:	135192805
Reduced:	O2F5N5C20H22 (1)
Stoich.:	A2B5C5D20E22 (1)
Weight, g/mol:	400.103261
ΔH_f, kcal/mol:	-229.43
Dipole, Da:	3.34
IP(EA), eV:	-8.61(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-(pentafluoro-lambda6-sulfanyl)phenyl]-2-azaspiro[3.3]heptan-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1COCCN1C23CC(C2)(C3)N4C=C(N=C4CC(F)F)C5=CC(=C(N=C5)N)OC(F)(F)F

DOS

IR

Vibrations