Geometry & MOs

Info

ID:	346436
PubChem CID:	127270940
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-36.71
Dipole, Da:	4.66
IP(EA), eV:	-8.77(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]azepan-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)NCC3(CCSC3)N4CCOCC4)NN=C2

DOS

IR

Vibrations