Geometry & MOs

Info

ID:	68890
PubChem CID:	46511282
Reduced:	FSN4H15C22 (1)
Stoich.:	ABC4D15E22 (1)
Weight, g/mol:	388.106848
ΔH_f, kcal/mol:	108.52
Dipole, Da:	1.84
IP(EA), eV:	-8.65(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NNC(=N3)C4=CC=CC=C4F

DOS

IR

Vibrations