Geometry & MOs

Info

ID:	245389
PubChem CID:	99444202
Reduced:	SO3N4C25H32 (1)
Stoich.:	AB3C4D25E32 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-70.87
Dipole, Da:	8.99
IP(EA), eV:	-8.81(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(4-phenylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C)C(=O)NCC3=CC(=CC=C3)C#N

DOS

IR

Vibrations