Geometry & MOs

Info

ID:	145566
PubChem CID:	53545611
Reduced:	OSN4H16C19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	57.07
Dipole, Da:	2.79
IP(EA), eV:	-8.5(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=CNC2=S)C(=O)NCC3=CC4=CC=CC=C4N3

DOS

IR

Vibrations