Geometry & MOs

Info

ID:	60185
PubChem CID:	26675864
Reduced:	SF2N2O4H16C21 (1)
Stoich.:	AB2C2D4E16F21 (1)
Weight, g/mol:	422.110042
ΔH_f, kcal/mol:	-103.51
Dipole, Da:	5.01
IP(EA), eV:	-9.47(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[(2-cyanophenyl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)F)S(=O)(=O)N(CC2=CC=C(C=C2)F)CC3=NOC(=C3)C4=CC=CO4

DOS

IR

Vibrations