Geometry & MOs

Info

ID:	33954
PubChem CID:	7888983
Reduced:	N2O3H18C20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	405.092932
ΔH_f, kcal/mol:	-62.79
Dipole, Da:	8.32
IP(EA), eV:	-8.44(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations