Geometry & MOs

Info

ID:	69108
PubChem CID:	46518825
Reduced:	FN2O4C24H29 (1)
Stoich.:	AB2C4D24E29 (1)
Weight, g/mol:	467.149047
ΔH_f, kcal/mol:	-162.7
Dipole, Da:	6.18
IP(EA), eV:	-8.81(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC4CCCO4)F

DOS

IR

Vibrations