Geometry & MOs

Info

ID:	141147
PubChem CID:	52826827
Reduced:	O2F3N4C25H29 (1)
Stoich.:	A2B3C4D25E29 (1)
Weight, g/mol:	468.19436
ΔH_f, kcal/mol:	-183.31
Dipole, Da:	4.62
IP(EA), eV:	-9.03(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)F)[C@@H](C)NC(=O)[C@H]3CC(=O)N(C3)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations