Geometry & MOs

Info

ID:	365876
PubChem CID:	127319126
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	326.120132
ΔH_f, kcal/mol:	21.65
Dipole, Da:	8.35
IP(EA), eV:	-8.57(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-pyridin-2-ylsulfanylpyridin-4-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NC3=CC(=NC=C3)SC4=CC=CC=N4

DOS

IR

Vibrations