Geometry & MOs

Info

ID:	123286
PubChem CID:	50840653
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	392.077696
ΔH_f, kcal/mol:	-24.8
Dipole, Da:	6.83
IP(EA), eV:	-8.58(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluorophenyl)methylsulfanyl]-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)N4CCCCCC4

DOS

IR

Vibrations