Geometry & MOs

Info

ID:	244820
PubChem CID:	99428320
Reduced:	SF2O2N4H16C17 (1)
Stoich.:	AB2C2D4E16F17 (1)
Weight, g/mol:	491.216869
ΔH_f, kcal/mol:	-75.39
Dipole, Da:	10.52
IP(EA), eV:	-9.67(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-diethoxy-N-[2-oxo-2-[3-(pyridin-4-ylmethylcarbamoylamino)anilino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)[C@@H](C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations