Geometry & MOs

Info

ID:	84282
PubChem CID:	49865226
Reduced:	FN8H19C20 (1)
Stoich.:	AB8C19D20 (1)
Weight, g/mol:	455.031825
ΔH_f, kcal/mol:	144.36
Dipole, Da:	9.86
IP(EA), eV:	-9.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN2C=NN=C2CN1C(C3=CC=C(C=C3)F)C4=NN=NN4CC5=CC=CC=C5

DOS

IR

Vibrations