Geometry & MOs

Info

ID:	141325
PubChem CID:	52860628
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	455.12634
ΔH_f, kcal/mol:	69.5
Dipole, Da:	3.76
IP(EA), eV:	-8.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]-2-methylphenoxy]butanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=NN=C2N1C=CC=C2)NC(=O)[C@@H]3C[C@@H]3C4=CN(N=C4)C

DOS

IR

Vibrations