Geometry & MOs

Info

ID:	201536
PubChem CID:	79552292
Reduced:	FSN2O3C12H17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	247.139471
ΔH_f, kcal/mol:	-165.24
Dipole, Da:	6.81
IP(EA), eV:	-9.08(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bicyclo[2.2.1]heptanylmethylsulfanyl)-2-methylaniline

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC(=C(C=C1)N)F)S(=O)(=O)C

DOS

IR

Vibrations