Geometry & MOs

Info

ID:	175280
PubChem CID:	75878518
Reduced:	N2S2O4C13H24 (1)
Stoich.:	A2B2C4D13E24 (1)
Weight, g/mol:	412.189926
ΔH_f, kcal/mol:	-161.6
Dipole, Da:	8.95
IP(EA), eV:	-9.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)N(C2CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations