Geometry & MOs

Info

ID:	260161
PubChem CID:	103183537
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	294.083827
ΔH_f, kcal/mol:	-83.04
Dipole, Da:	4.09
IP(EA), eV:	-8.75(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-fluorophenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1N)C)CS(=O)(=O)C(C)C

DOS

IR

Vibrations