Geometry & MOs

Info

ID:	360527
PubChem CID:	127301172
Reduced:	SN3O5C16H27 (1)
Stoich.:	AB3C5D16E27 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-227.93
Dipole, Da:	4.05
IP(EA), eV:	-8.92(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)CCC(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations