Geometry & MOs

Info

ID:	330765
PubChem CID:	127248172
Reduced:	ON2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	406.183875
ΔH_f, kcal/mol:	-57.07
Dipole, Da:	7.79
IP(EA), eV:	-8.65(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-3-[4-(3-fluoroanilino)-6-methylpyridin-2-yl]pyrrolidine-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C3CCN(CC3)C(=O)C)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations